2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide

C19H14N4O2S — CID 43854828

IUPAC2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nonc2-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H14N4O2S/c1-12-20-16(17(26-12)14-10-6-3-7-11-14)19(24)21-18-15(22-25-23-18)13-8-4-2-5-9-13/h2-11H,1H3,(H,21,23,24)
InChIKeyQSNAWGUQNYIXPY-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.42
Rot. Bonds4

About 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide

2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 43854828) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID43854828
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nonc2-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H14N4O2S/c1-12-20-16(17(26-12)14-10-6-3-7-11-14)19(24)21-18-15(22-25-23-18)13-8-4-2-5-9-13/h2-11H,1H3,(H,21,23,24)
InChIKeyQSNAWGUQNYIXPY-UHFFFAOYSA-N
XLogP4.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-(3-methyl-4-prop-2-enoxyphenyl)-1,2,5-oxadiazol-3-yl]-5-phenyl-1,3-thiazole-4-carboxamide
CID 43855070
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
N-(3-chloro-4-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854642
2-methyl-5-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 43854628
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702
2-methyl-N-(5-nitro-1,3-oxazol-2-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854861
N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110647439
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854818
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 7708593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide (CID 43854828) is 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2nonc2-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QSNAWGUQNYIXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-12-20-16(17(26-12)14-10-6-3-7-11-14)19(24)21-18-15(22-25-23-18)13-8-4-2-5-9-13/h2-11H,1H3,(H,21,23,24).
What are the key properties of 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide?
2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43854828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).