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

C16H11ClN4O3S — CID 1069355

IUPAC2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C16H11ClN4O3S/c17-11-3-1-2-4-12(11)19-15(22)14-13(20-16(18)25-14)9-5-7-10(8-6-9)21(23)24/h1-8H,(H2,18,20)(H,19,22)
InChIKeyDPBLLXOFUULZBU-UHFFFAOYSA-N
MW374.81 g/mol
LogP4.21
Rot. Bonds4

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

2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 1069355) has the molecular formula C16H11ClN4O3S and a molecular weight of 374.81 g/mol. Its IUPAC name is 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
PubChem CID1069355
Molecular FormulaC16H11ClN4O3S
Molecular Weight374.81 g/mol
Exact Mass374.02
IUPAC Name2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C16H11ClN4O3S/c17-11-3-1-2-4-12(11)19-15(22)14-13(20-16(18)25-14)9-5-7-10(8-6-9)21(23)24/h1-8H,(H2,18,20)(H,19,22)
InChIKeyDPBLLXOFUULZBU-UHFFFAOYSA-N
XLogP4.21
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 54.21
H-Bond Donors ≤ 52
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'}

Analyze 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 4739458
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
2-anilino-N-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 3919463
2-chloro-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2257408
2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115643
2-amino-N-(2,5-dichlorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-3-ium-5-carboxamide
CID 4227556
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
N-[(2-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 932726
2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62786667
5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617284
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide (CID 1069355) is 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide is Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2Cl)s1.
What is the InChIKey of 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DPBLLXOFUULZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3S/c17-11-3-1-2-4-12(11)19-15(22)14-13(20-16(18)25-14)9-5-7-10(8-6-9)21(23)24/h1-8H,(H2,18,20)(H,19,22).
What are the key properties of 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 374.81 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1069355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).