2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide

C9H15N3OS — CID 68749134

IUPAC2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)[C@H](N)c1nc(C(N)=O)cs1
InChIInChI=1S/C9H15N3OS/c1-3-5(2)7(10)9-12-6(4-14-9)8(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)/t5-,7-/m0/s1
InChIKeyNMFGNNDSUXCYHQ-FSPLSTOPSA-N
MW213.31 g/mol
LogP1.29
Rot. Bonds4

About 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide

2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide (PubChem CID 68749134) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide
PubChem CID68749134
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)[C@H](N)c1nc(C(N)=O)cs1
InChIInChI=1S/C9H15N3OS/c1-3-5(2)7(10)9-12-6(4-14-9)8(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)/t5-,7-/m0/s1
InChIKeyNMFGNNDSUXCYHQ-FSPLSTOPSA-N
XLogP1.29
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide
CID 163734386
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
ethyl 2-(1-amino-2-methylpropyl)-1,3-thiazole-4-carboxylate;2,2,2-trifluoroacetate
CID 171922201
(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine
CID 67292696
2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide
CID 173107724
[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3834282
2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
CID 66388664
N-tert-butyl-N-[3-[tert-butyl(carboxylato)amino]-2-(4-carbamoyl-1,3-thiazol-2-yl)propyl]carbamate
CID 71431377
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]heptan-1-one
CID 116585789
ethyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)-1,3-thiazole-4-carboxylate
CID 171868599
2-(1-aminoethyl)-N-[2-(dimethylamino)-3-ethylpentyl]-1,3-thiazole-4-carboxamide
CID 66388934

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide (CID 68749134) is 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide is CC[C@H](C)[C@H](N)c1nc(C(N)=O)cs1.
What is the InChIKey of 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NMFGNNDSUXCYHQ-FSPLSTOPSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-5(2)7(10)9-12-6(4-14-9)8(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)/t5-,7-/m0/s1.
What are the key properties of 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide?
2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68749134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).