(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid

C44H44N10O3S2 — CID 157455504

IUPAC(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCc1cn2cccc2c(N2CC[C@H](N)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(-c4ccccc4)n3)C2)n1.O=C(O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C22H21N5OS.C12H16N4.C10H7NO2S/c1-15-12-26-10-5-8-19(26)20(23-15)27-11-9-17(13-27)24-21(28)18-14-29-22(25-18)16-6-3-2-4-7-16;1-9-7-15-5-2-3-11(15)12(14-9)16-6-4-10(13)8-16;12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,24,28);2-3,5,7,10H,4,6,8,13H2,1H3;1-6H,(H,12,13)/t17-;10-;/m00./s1
InChIKeyBTHQBVBGLCNZLU-TWBHEIAKSA-N
MW825.04 g/mol
LogP7.46
Rot. Bonds7

About (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid

(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 157455504) has the molecular formula C44H44N10O3S2 and a molecular weight of 825.04 g/mol. Its IUPAC name is (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID157455504
Molecular FormulaC44H44N10O3S2
Molecular Weight825.04 g/mol
Exact Mass824.30
IUPAC Name(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCc1cn2cccc2c(N2CC[C@H](N)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(-c4ccccc4)n3)C2)n1.O=C(O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C22H21N5OS.C12H16N4.C10H7NO2S/c1-15-12-26-10-5-8-19(26)20(23-15)27-11-9-17(13-27)24-21(28)18-14-29-22(25-18)16-6-3-2-4-7-16;1-9-7-15-5-2-3-11(15)12(14-9)16-6-4-10(13)8-16;12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,24,28);2-3,5,7,10H,4,6,8,13H2,1H3;1-6H,(H,12,13)/t17-;10-;/m00./s1
InChIKeyBTHQBVBGLCNZLU-TWBHEIAKSA-N
XLogP7.46
TPSA159.28 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.04
LogP ≤ 57.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192079
2-(4-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192082
N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 75203346
2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192059
N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 90192076
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192107
2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192118
2-(4-fluorophenyl)-N-[1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 75202835
2-(4-fluorophenyl)-N-(1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 75202836
3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane
CID 158208525
(2S)-2-(3-methyl-2,6-dioxopurin-7-yl)-N-[2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanamide;(2S)-2-(3-methyl-2,6-dioxopurin-7-yl)propanoic acid;2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-amine
CID 159868540
methane;(2S)-2-(3-methyl-2,6-dioxopurin-7-yl)-N-[2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanamide;(2S)-2-(3-methyl-2,6-dioxopurin-7-yl)propanoic acid;2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-amine
CID 162192610

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid (CID 157455504) is (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid is Cc1cn2cccc2c(N2CC[C@H](N)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(-c4ccccc4)n3)C2)n1.O=C(O)c1csc(-c2ccccc2)n1.
What is the InChIKey of (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is BTHQBVBGLCNZLU-TWBHEIAKSA-N. The full InChI is InChI=1S/C22H21N5OS.C12H16N4.C10H7NO2S/c1-15-12-26-10-5-8-19(26)20(23-15)27-11-9-17(13-27)24-21(28)18-14-29-22(25-18)16-6-3-2-4-7-16;1-9-7-15-5-2-3-11(15)12(14-9)16-6-4-10(13)8-16;12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,24,28);2-3,5,7,10H,4,6,8,13H2,1H3;1-6H,(H,12,13)/t17-;10-;/m00./s1.
What are the key properties of (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid?
(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 825.04 g/mol, XLogP of 7.46, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 157455504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).