2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide

C17H14N4O4S — CID 39115643

IUPAC2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O4S/c1-25-13-8-7-11(9-12(13)21(23)24)19-16(22)15-14(20-17(18)26-15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20)(H,19,22)
InChIKeyPFKQGNDPGICKIU-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.56
Rot. Bonds5

About 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39115643) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39115643
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Name2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O4S/c1-25-13-8-7-11(9-12(13)21(23)24)19-16(22)15-14(20-17(18)26-15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20)(H,19,22)
InChIKeyPFKQGNDPGICKIU-UHFFFAOYSA-N
XLogP3.56
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-(4-methoxy-3-nitrophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797296
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
2-anilino-N-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 3919463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 39115643) is 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is PFKQGNDPGICKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-25-13-8-7-11(9-12(13)21(23)24)19-16(22)15-14(20-17(18)26-15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20)(H,19,22).
What are the key properties of 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39115643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).