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

C15H10ClN3OS3 — CID 1342967

IUPACN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1
InChIInChI=1S/C15H10ClN3OS3/c16-10-5-3-9(4-6-10)11-8-23-15(17-11)19-14(21)18-13(20)12-2-1-7-22-12/h1-8H,(H2,17,18,19,20,21)
InChIKeySYHFWYXCPBXFQH-UHFFFAOYSA-N
MW379.92 g/mol
LogP4.65
Rot. Bonds3

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

N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 1342967) has the molecular formula C15H10ClN3OS3 and a molecular weight of 379.92 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide
PubChem CID1342967
Molecular FormulaC15H10ClN3OS3
Molecular Weight379.92 g/mol
Exact Mass378.97
IUPAC NameN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1
InChIInChI=1S/C15H10ClN3OS3/c16-10-5-3-9(4-6-10)11-8-23-15(17-11)19-14(21)18-13(20)12-2-1-7-22-12/h1-8H,(H2,17,18,19,20,21)
InChIKeySYHFWYXCPBXFQH-UHFFFAOYSA-N
XLogP4.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.92
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide (CID 1342967) is N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is SYHFWYXCPBXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS3/c16-10-5-3-9(4-6-10)11-8-23-15(17-11)19-14(21)18-13(20)12-2-1-7-22-12/h1-8H,(H2,17,18,19,20,21).
What are the key properties of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide?
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 379.92 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 1342967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).