N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide

C8H13N3O2S — CID 130708869

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N[C@@H](C)CO)cs1
InChIInChI=1S/C8H13N3O2S/c1-5(3-12)10-7(13)6-4-14-8(9-2)11-6/h4-5,12H,3H2,1-2H3,(H,9,11)(H,10,13)/t5-/m0/s1
InChIKeyGYBIEDOOYWYYNA-YFKPBYRVSA-N
MW215.28 g/mol
LogP0.30
Rot. Bonds4

About N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 130708869) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID130708869
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N[C@@H](C)CO)cs1
InChIInChI=1S/C8H13N3O2S/c1-5(3-12)10-7(13)6-4-14-8(9-2)11-6/h4-5,12H,3H2,1-2H3,(H,9,11)(H,10,13)/t5-/m0/s1
InChIKeyGYBIEDOOYWYYNA-YFKPBYRVSA-N
XLogP0.30
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-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

2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 110004592
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
CID 89257366
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131203421
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 61247496
2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122563881
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 130708869) is N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)N[C@@H](C)CO)cs1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is GYBIEDOOYWYYNA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(3-12)10-7(13)6-4-14-8(9-2)11-6/h4-5,12H,3H2,1-2H3,(H,9,11)(H,10,13)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130708869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).