N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C17H11N3OS3 — CID 86940531

IUPACN-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C17H11N3OS3/c21-15(14-9-18-16(23-14)12-6-7-22-10-12)20-17-19-8-13(24-17)11-4-2-1-3-5-11/h1-10H,(H,19,20,21)
InChIKeyDAYZAKUEEXLCGN-UHFFFAOYSA-N
MW369.50 g/mol
LogP5.25
Rot. Bonds4

About N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 86940531) has the molecular formula C17H11N3OS3 and a molecular weight of 369.50 g/mol. Its IUPAC name is N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID86940531
Molecular FormulaC17H11N3OS3
Molecular Weight369.50 g/mol
Exact Mass369.01
IUPAC NameN-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C17H11N3OS3/c21-15(14-9-18-16(23-14)12-6-7-22-10-12)20-17-19-8-13(24-17)11-4-2-1-3-5-11/h1-10H,(H,19,20,21)
InChIKeyDAYZAKUEEXLCGN-UHFFFAOYSA-N
XLogP5.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 644846
Thiophene-2-carboxylic acid [5-(4-methyl-benzyl)-thiazol-2-yl]-amide
CID 1113642
N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}thiophene-2-carboxamide
CID 1143580
N-(5-(4-fluorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2180013
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2964718
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
N-(5-(4-fluorophenyl)thiazol-2-yl)thiophene-2-carboxamide
CID 22474502
2-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 72187548
N-(5-benzylthiazol-2-yl)-2-(2-thienyl)thiazole-5-carboxamide
CID 118726201
(2E)-N-[5-(2-fluorobenzyl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide
CID 5982385
N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 4842820
2-phenyl-N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 49676384

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 86940531) is N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is O=C(Nc1ncc(-c2ccccc2)s1)c1cnc(-c2ccsc2)s1.
What is the InChIKey of N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DAYZAKUEEXLCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS3/c21-15(14-9-18-16(23-14)12-6-7-22-10-12)20-17-19-8-13(24-17)11-4-2-1-3-5-11/h1-10H,(H,19,20,21).
What are the key properties of N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 369.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86940531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).