N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide

C9H14N2O2S — CID 66106843

IUPACN-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(CCO)CNC(=O)c1cscn1
InChIInChI=1S/C9H14N2O2S/c1-7(2-3-12)4-10-9(13)8-5-14-6-11-8/h5-7,12H,2-4H2,1H3,(H,10,13)
InChIKeyMYZXMNNTWYPKET-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.89
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide

N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 66106843) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID66106843
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(CCO)CNC(=O)c1cscn1
InChIInChI=1S/C9H14N2O2S/c1-7(2-3-12)4-10-9(13)8-5-14-6-11-8/h5-7,12H,2-4H2,1H3,(H,10,13)
InChIKeyMYZXMNNTWYPKET-UHFFFAOYSA-N
XLogP0.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 114309848
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 63049087
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 66109460
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 114304998
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide (CID 66106843) is N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide is CC(CCO)CNC(=O)c1cscn1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MYZXMNNTWYPKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(2-3-12)4-10-9(13)8-5-14-6-11-8/h5-7,12H,2-4H2,1H3,(H,10,13).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide?
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66106843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).