N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C14H8Cl2N2OS2 — CID 1240848

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccs1
InChIInChI=1S/C14H8Cl2N2OS2/c15-9-4-3-8(6-10(9)16)11-7-21-14(17-11)18-13(19)12-2-1-5-20-12/h1-7H,(H,17,18,19)
InChIKeyMKQZULLTRMTSMW-UHFFFAOYSA-N
MW355.27 g/mol
LogP5.43
Rot. Bonds3

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 1240848) has the molecular formula C14H8Cl2N2OS2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID1240848
Molecular FormulaC14H8Cl2N2OS2
Molecular Weight355.27 g/mol
Exact Mass353.95
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccs1
InChIInChI=1S/C14H8Cl2N2OS2/c15-9-4-3-8(6-10(9)16)11-7-21-14(17-11)18-13(19)12-2-1-5-20-12/h1-7H,(H,17,18,19)
InChIKeyMKQZULLTRMTSMW-UHFFFAOYSA-N
XLogP5.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 4128093
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 1012057
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 4845975
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 4200583
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 1240848) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccs1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is MKQZULLTRMTSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS2/c15-9-4-3-8(6-10(9)16)11-7-21-14(17-11)18-13(19)12-2-1-5-20-12/h1-7H,(H,17,18,19).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1240848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).