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

C13H16N2O3S2 — CID 103877534

IUPACN-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H16N2O3S2/c1-18-6-10(16)2-4-14-12(17)11-8-20-13(15-11)9-3-5-19-7-9/h3,5,7-8,10,16H,2,4,6H2,1H3,(H,14,17)
InChIKeySGDKRDIEXVZDSC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.00
Rot. Bonds7

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

N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 103877534) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID103877534
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H16N2O3S2/c1-18-6-10(16)2-4-14-12(17)11-8-20-13(15-11)9-3-5-19-7-9/h3,5,7-8,10,16H,2,4,6H2,1H3,(H,14,17)
InChIKeySGDKRDIEXVZDSC-UHFFFAOYSA-N
XLogP2.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
N-[2-(2-methylphenoxy)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55907571
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 110003115
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide
CID 110021786

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 103877534) is N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is COCC(O)CCNC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SGDKRDIEXVZDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-18-6-10(16)2-4-14-12(17)11-8-20-13(15-11)9-3-5-19-7-9/h3,5,7-8,10,16H,2,4,6H2,1H3,(H,14,17).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103877534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).