N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide

C14H9ClN2O2S — CID 18102049

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccoc1
InChIInChI=1S/C14H9ClN2O2S/c15-11-4-2-1-3-10(11)12-8-20-14(16-12)17-13(18)9-5-6-19-7-9/h1-8H,(H,16,17,18)
InChIKeyVQORYUWYCJOIMN-UHFFFAOYSA-N
MW304.76 g/mol
LogP4.31
Rot. Bonds3

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 18102049) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID18102049
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccoc1
InChIInChI=1S/C14H9ClN2O2S/c15-11-4-2-1-3-10(11)12-8-20-14(16-12)17-13(18)9-5-6-19-7-9/h1-8H,(H,16,17,18)
InChIKeyVQORYUWYCJOIMN-UHFFFAOYSA-N
XLogP4.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 31847833
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 19197399
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide
CID 19195225
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
CID 162387037
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 162386859
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 86873602

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide (CID 18102049) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccoc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is VQORYUWYCJOIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-11-4-2-1-3-10(11)12-8-20-14(16-12)17-13(18)9-5-6-19-7-9/h1-8H,(H,16,17,18).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 18102049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).