N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide

C8H12N2O2S — CID 103920352

IUPACN-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cncs1
InChIInChI=1S/C8H12N2O2S/c1-2-6(4-11)10-8(12)7-3-9-5-13-7/h3,5-6,11H,2,4H2,1H3,(H,10,12)/t6-/m1/s1
InChIKeyZWIVDBNWSWTGOH-ZCFIWIBFSA-N
MW200.26 g/mol
LogP0.64
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 103920352) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID103920352
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cncs1
InChIInChI=1S/C8H12N2O2S/c1-2-6(4-11)10-8(12)7-3-9-5-13-7/h3,5-6,11H,2,4H2,1H3,(H,10,12)/t6-/m1/s1
InChIKeyZWIVDBNWSWTGOH-ZCFIWIBFSA-N
XLogP0.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 103850626
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 97340263
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
N-(1-chloro-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 114031419
5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 104981468
N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511286

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide (CID 103920352) is N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide is CC[C@H](CO)NC(=O)c1cncs1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZWIVDBNWSWTGOH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-6(4-11)10-8(12)7-3-9-5-13-7/h3,5-6,11H,2,4H2,1H3,(H,10,12)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103920352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).