N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C14H18N2O2S2 — CID 115744537

IUPACN-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCC(O)C(C)C
InChIInChI=1S/C14H18N2O2S2/c1-8(2)11(17)6-15-13(18)12-9(3)16-14(20-12)10-4-5-19-7-10/h4-5,7-8,11,17H,6H2,1-3H3,(H,15,18)
InChIKeyCPFIDIGVZGLQSY-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.93
Rot. Bonds5

About N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 115744537) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID115744537
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCC(O)C(C)C
InChIInChI=1S/C14H18N2O2S2/c1-8(2)11(17)6-15-13(18)12-9(3)16-14(20-12)10-4-5-19-7-10/h4-5,7-8,11,17H,6H2,1-3H3,(H,15,18)
InChIKeyCPFIDIGVZGLQSY-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
N-[(2R)-1-hydroxybutan-2-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103920340
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41291742
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107564441
4-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 26648334
N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 166201736

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 115744537) is N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NCC(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CPFIDIGVZGLQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-8(2)11(17)6-15-13(18)12-9(3)16-14(20-12)10-4-5-19-7-10/h4-5,7-8,11,17H,6H2,1-3H3,(H,15,18).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 115744537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).