2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide

C14H7Cl3N2OS2 — CID 4146879

IUPAC2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1Cl
InChIInChI=1S/C14H7Cl3N2OS2/c15-9-4-2-1-3-7(9)13(20)19-14-18-10(6-21-14)8-5-11(16)22-12(8)17/h1-6H,(H,18,19,20)
InChIKeyKMELKTTUUOFQKF-UHFFFAOYSA-N
MW389.72 g/mol
LogP6.08
Rot. Bonds3

About 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide

2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4146879) has the molecular formula C14H7Cl3N2OS2 and a molecular weight of 389.72 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID4146879
Molecular FormulaC14H7Cl3N2OS2
Molecular Weight389.72 g/mol
Exact Mass387.91
IUPAC Name2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1Cl
InChIInChI=1S/C14H7Cl3N2OS2/c15-9-4-2-1-3-7(9)13(20)19-14-18-10(6-21-14)8-5-11(16)22-12(8)17/h1-6H,(H,18,19,20)
InChIKeyKMELKTTUUOFQKF-UHFFFAOYSA-N
XLogP6.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.72
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070
2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 3549072
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 4670765
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 8609952
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 17456352
N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 167768820
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 18282187
2-[(2-chlorobenzoyl)amino]-N-hydroxy-1,3-thiazole-4-carboxamide
CID 156904198
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27897743

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide (CID 4146879) is 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is KMELKTTUUOFQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2OS2/c15-9-4-2-1-3-7(9)13(20)19-14-18-10(6-21-14)8-5-11(16)22-12(8)17/h1-6H,(H,18,19,20).
What are the key properties of 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide?
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 389.72 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4146879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).