N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C21H15N3O2S2 — CID 71142324

IUPACN-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1ccc(-c2ccccc2NC(=O)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C21H15N3O2S2/c22-19(25)14-9-7-13(8-10-14)15-4-1-2-5-16(15)23-20(26)17-12-28-21(24-17)18-6-3-11-27-18/h1-12H,(H2,22,25)(H,23,26)
InChIKeyXZHVPYUGXVZEIL-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.89
Rot. Bonds5

About N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71142324) has the molecular formula C21H15N3O2S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID71142324
Molecular FormulaC21H15N3O2S2
Molecular Weight405.50 g/mol
Exact Mass405.06
IUPAC NameN-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1ccc(-c2ccccc2NC(=O)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C21H15N3O2S2/c22-19(25)14-9-7-13(8-10-14)15-4-1-2-5-16(15)23-20(26)17-12-28-21(24-17)18-6-3-11-27-18/h1-12H,(H2,22,25)(H,23,26)
InChIKeyXZHVPYUGXVZEIL-UHFFFAOYSA-N
XLogP4.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098037
N-quinolin-8-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 17447095
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 9047543
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[2-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55887676
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 71142324) is N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is NC(=O)c1ccc(-c2ccccc2NC(=O)c2csc(-c3cccs3)n2)cc1.
What is the InChIKey of N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XZHVPYUGXVZEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S2/c22-19(25)14-9-7-13(8-10-14)15-4-1-2-5-16(15)23-20(26)17-12-28-21(24-17)18-6-3-11-27-18/h1-12H,(H2,22,25)(H,23,26).
What are the key properties of N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71142324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).