(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide

C15H22N4OS — CID 95202696

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)N(C)CCc2scnc2C)n1
InChIInChI=1S/C15H22N4OS/c1-10-8-11(2)19(17-10)13(4)15(20)18(5)7-6-14-12(3)16-9-21-14/h8-9,13H,6-7H2,1-5H3/t13-/m0/s1
InChIKeyMLRKHITVBMWXBT-ZDUSSCGKSA-N
MW306.44 g/mol
LogP2.53
Rot. Bonds5

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide (PubChem CID 95202696) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
PubChem CID95202696
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)N(C)CCc2scnc2C)n1
InChIInChI=1S/C15H22N4OS/c1-10-8-11(2)19(17-10)13(4)15(20)18(5)7-6-14-12(3)16-9-21-14/h8-9,13H,6-7H2,1-5H3/t13-/m0/s1
InChIKeyMLRKHITVBMWXBT-ZDUSSCGKSA-N
XLogP2.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119068240
2-(2-ethoxyethyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 70748032
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide
CID 124842337
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 56911022
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
CID 90649076
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344
3-[ethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butanoic acid
CID 55123962
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 125443629
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-propan-2-ylamino]acetic acid
CID 62071366
2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 56910295
2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid
CID 99822214

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide (CID 95202696) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide is Cc1cc(C)n([C@@H](C)C(=O)N(C)CCc2scnc2C)n1.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The InChIKey is MLRKHITVBMWXBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-8-11(2)19(17-10)13(4)15(20)18(5)7-6-14-12(3)16-9-21-14/h8-9,13H,6-7H2,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide has a molecular weight of 306.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 95202696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).