2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C12H17N5OS — CID 99972786

IUPAC2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N[C@@H](C)c1c(C)n[nH]c1C
InChIInChI=1S/C12H17N5OS/c1-5(9-6(2)16-17-7(9)3)14-11(18)10-8(4)15-12(13)19-10/h5H,1-4H3,(H2,13,15)(H,14,18)(H,16,17)/t5-/m0/s1
InChIKeyTURIPXYLSAKLEB-YFKPBYRVSA-N
MW279.37 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 99972786) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID99972786
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N[C@@H](C)c1c(C)n[nH]c1C
InChIInChI=1S/C12H17N5OS/c1-5(9-6(2)16-17-7(9)3)14-11(18)10-8(4)15-12(13)19-10/h5H,1-4H3,(H2,13,15)(H,14,18)(H,16,17)/t5-/m0/s1
InChIKeyTURIPXYLSAKLEB-YFKPBYRVSA-N
XLogP1.86
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81354288
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55115011
methyl (2S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoate
CID 62792031
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79249595
2-amino-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
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2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 63822437
2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55115157
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82845398
(2S,3S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55116101
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794095

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 99972786) is 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N[C@@H](C)c1c(C)n[nH]c1C.
What is the InChIKey of 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is TURIPXYLSAKLEB-YFKPBYRVSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-5(9-6(2)16-17-7(9)3)14-11(18)10-8(4)15-12(13)19-10/h5H,1-4H3,(H2,13,15)(H,14,18)(H,16,17)/t5-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99972786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).