N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H23N5O3S — CID 72845975

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN1C[C@@H](NC(=O)c2cnc3sccn3c2=O)C[C@H]1C(=O)NCC
InChIInChI=1S/C17H23N5O3S/c1-3-5-21-10-11(8-13(21)15(24)18-4-2)20-14(23)12-9-19-17-22(16(12)25)6-7-26-17/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,24)(H,20,23)/t11-,13-/m0/s1
InChIKeyKREKGWKDHSPQKR-AAEUAGOBSA-N
MW377.47 g/mol
LogP0.47
Rot. Bonds6

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 72845975) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID72845975
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN1C[C@@H](NC(=O)c2cnc3sccn3c2=O)C[C@H]1C(=O)NCC
InChIInChI=1S/C17H23N5O3S/c1-3-5-21-10-11(8-13(21)15(24)18-4-2)20-14(23)12-9-19-17-22(16(12)25)6-7-26-17/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,24)(H,20,23)/t11-,13-/m0/s1
InChIKeyKREKGWKDHSPQKR-AAEUAGOBSA-N
XLogP0.47
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide 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

N-({(2S,4S)-4-fluoro-1-[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]pyrrolidin-2-yl}methyl)pentanamide
CID 70781595
5-oxo-N-(2-oxoazepan-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45818751
5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363943
3-Methyl-5-oxo-N-[2-(pyrrolidin-1-YL)ethyl]-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 46363972
N-{(3R,5S)-5-[(isopropylamino)carbonyl]-1-propylpyrrolidin-3-yl}-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 72906110
3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469350
3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4099520
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4122048
(2S)-N-methyl-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxamide
CID 40380053
(2R)-N-methyl-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxamide
CID 40380054
5-oxo-N-(2-oxoazepan-3-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45818752
N-[1-(ethylamino)-1-oxopropan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47118943

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 72845975) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN1C[C@@H](NC(=O)c2cnc3sccn3c2=O)C[C@H]1C(=O)NCC.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KREKGWKDHSPQKR-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-3-5-21-10-11(8-13(21)15(24)18-4-2)20-14(23)12-9-19-17-22(16(12)25)6-7-26-17/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,18,24)(H,20,23)/t11-,13-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(ethylcarbamoyl)-1-propylpyrrolidin-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 72845975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).