N-(4-butylphenyl)-1,3-thiazole-2-carboxamide

C14H16N2OS — CID 110486206

IUPACN-(4-butylphenyl)-1,3-thiazole-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2nccs2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-3-4-11-5-7-12(8-6-11)16-13(17)14-15-9-10-18-14/h5-10H,2-4H2,1H3,(H,16,17)
InChIKeyLDXHTFHVIPFYMG-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.74
Rot. Bonds5

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

N-(4-butylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 110486206) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(4-butylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID110486206
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(4-butylphenyl)-1,3-thiazole-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2nccs2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-3-4-11-5-7-12(8-6-11)16-13(17)14-15-9-10-18-14/h5-10H,2-4H2,1H3,(H,16,17)
InChIKeyLDXHTFHVIPFYMG-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 110696023
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
N-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1,3-thiazole-2-carboxamide (CID 110486206) is N-(4-butylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1,3-thiazole-2-carboxamide is CCCCc1ccc(NC(=O)c2nccs2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is LDXHTFHVIPFYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-3-4-11-5-7-12(8-6-11)16-13(17)14-15-9-10-18-14/h5-10H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(4-butylphenyl)-1,3-thiazole-2-carboxamide?
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110486206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).