N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C20H12Cl2N4O2S2 — CID 60576136

IUPACN-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H12Cl2N4O2S2/c21-13-5-2-1-4-12(13)19-25-26-20(30-19)24-17(27)11-7-8-14(22)15(10-11)23-18(28)16-6-3-9-29-16/h1-10H,(H,23,28)(H,24,26,27)
InChIKeyHTVXBETUYUJQST-UHFFFAOYSA-N
MW475.38 g/mol
LogP6.08
Rot. Bonds5

About N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 60576136) has the molecular formula C20H12Cl2N4O2S2 and a molecular weight of 475.38 g/mol. Its IUPAC name is N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID60576136
Molecular FormulaC20H12Cl2N4O2S2
Molecular Weight475.38 g/mol
Exact Mass473.98
IUPAC NameN-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H12Cl2N4O2S2/c21-13-5-2-1-4-12(13)19-25-26-20(30-19)24-17(27)11-7-8-14(22)15(10-11)23-18(28)16-6-3-9-29-16/h1-10H,(H,23,28)(H,24,26,27)
InChIKeyHTVXBETUYUJQST-UHFFFAOYSA-N
XLogP6.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 4845975
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[5-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 2463553
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
N-[2-chloro-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 4784751
N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46652846
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 78776503
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 48585499
5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 60576166

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 60576136) is N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is HTVXBETUYUJQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4O2S2/c21-13-5-2-1-4-12(13)19-25-26-20(30-19)24-17(27)11-7-8-14(22)15(10-11)23-18(28)16-6-3-9-29-16/h1-10H,(H,23,28)(H,24,26,27).
What are the key properties of N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 475.38 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60576136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).