N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H12IN3O2S — CID 27446323

IUPACN-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C15H12IN3O2S/c1-8-13(9(2)21-19-8)14(20)18-15-17-12(7-22-15)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,17,18,20)
InChIKeyYNLSBMBTQGGEOA-UHFFFAOYSA-N
MW425.25 g/mol
LogP4.27
Rot. Bonds3

About N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 27446323) has the molecular formula C15H12IN3O2S and a molecular weight of 425.25 g/mol. Its IUPAC name is N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID27446323
Molecular FormulaC15H12IN3O2S
Molecular Weight425.25 g/mol
Exact Mass424.97
IUPAC NameN-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C15H12IN3O2S/c1-8-13(9(2)21-19-8)14(20)18-15-17-12(7-22-15)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,17,18,20)
InChIKeyYNLSBMBTQGGEOA-UHFFFAOYSA-N
XLogP4.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
3,5-dimethyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 7924782
3,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2649223
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17417503
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 153338934
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 2999703
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 134012248
5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2122558
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 27446323) is N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(I)cc2)cs1.
What is the InChIKey of N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is YNLSBMBTQGGEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O2S/c1-8-13(9(2)21-19-8)14(20)18-15-17-12(7-22-15)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,17,18,20).
What are the key properties of N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 425.25 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 27446323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).