N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide

C8H12N2O2S — CID 81042781

IUPACN-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CCO)NC(=O)c1cscn1
InChIInChI=1S/C8H12N2O2S/c1-6(2-3-11)10-8(12)7-4-13-5-9-7/h4-6,11H,2-3H2,1H3,(H,10,12)
InChIKeyPXYYDLVSJMXDMN-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.64
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide

N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 81042781) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID81042781
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CCO)NC(=O)c1cscn1
InChIInChI=1S/C8H12N2O2S/c1-6(2-3-11)10-8(12)7-4-13-5-9-7/h4-6,11H,2-3H2,1H3,(H,10,12)
InChIKeyPXYYDLVSJMXDMN-UHFFFAOYSA-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-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 65193010
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide (CID 81042781) is N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide is CC(CCO)NC(=O)c1cscn1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PXYYDLVSJMXDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(2-3-11)10-8(12)7-4-13-5-9-7/h4-6,11H,2-3H2,1H3,(H,10,12).
What are the key properties of N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-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-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81042781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).