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

C13H16N2O2S2 — CID 66107326

IUPACN-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(CCO)CNC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H16N2O2S2/c1-9(2-4-16)6-14-12(17)11-8-19-13(15-11)10-3-5-18-7-10/h3,5,7-9,16H,2,4,6H2,1H3,(H,14,17)
InChIKeyMDDNIRANESVXIT-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.62
Rot. Bonds6

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

N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 66107326) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID66107326
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(CCO)CNC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H16N2O2S2/c1-9(2-4-16)6-14-12(17)11-8-19-13(15-11)10-3-5-18-7-10/h3,5,7-9,16H,2,4,6H2,1H3,(H,14,17)
InChIKeyMDDNIRANESVXIT-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103877534
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43357798
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
N-(1H-pyrrol-3-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 106385182
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 110003115
N-[2-(2-methylphenoxy)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55907571

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 66107326) is N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CC(CCO)CNC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MDDNIRANESVXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9(2-4-16)6-14-12(17)11-8-19-13(15-11)10-3-5-18-7-10/h3,5,7-9,16H,2,4,6H2,1H3,(H,14,17).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66107326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).