N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

C18H15N3O4S — CID 1194302

IUPACN-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(C)nc2-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H15N3O4S/c1-11-19-16(12-6-8-14(9-7-12)21(23)24)17(26-11)18(22)20-13-4-3-5-15(10-13)25-2/h3-10H,1-2H3,(H,20,22)
InChIKeySCRPQNPEGLBCOZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.29
Rot. Bonds5

About N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 1194302) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
PubChem CID1194302
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(C)nc2-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H15N3O4S/c1-11-19-16(12-6-8-14(9-7-12)21(23)24)17(26-11)18(22)20-13-4-3-5-15(10-13)25-2/h3-10H,1-2H3,(H,20,22)
InChIKeySCRPQNPEGLBCOZ-UHFFFAOYSA-N
XLogP4.29
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide (CID 1194302) is N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2sc(C)nc2-c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SCRPQNPEGLBCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-11-19-16(12-6-8-14(9-7-12)21(23)24)17(26-11)18(22)20-13-4-3-5-15(10-13)25-2/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1194302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).