4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine

C16H13N3O2S — CID 135223031

IUPAC4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C16H13N3O2S/c1-11-4-2-3-5-14(11)15-10-22-16(18-15)17-12-6-8-13(9-7-12)19(20)21/h2-10H,1H3,(H,17,18)
InChIKeySZYOJTSGDHXDMW-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.77
Rot. Bonds4

About 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine

4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine (PubChem CID 135223031) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
PubChem CID135223031
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C16H13N3O2S/c1-11-4-2-3-5-14(11)15-10-22-16(18-15)17-12-6-8-13(9-7-12)19(20)21/h2-10H,1H3,(H,17,18)
InChIKeySZYOJTSGDHXDMW-UHFFFAOYSA-N
XLogP4.77
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(3-chloro-4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 19132871
2-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 39015982
phenyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]carbamate
CID 135223192
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 90730964
N-(4-nitrophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 158527700
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
CID 112821488
2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
CID 24830655
(E)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 108747987
2-chloro-3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]naphthalene-1,4-dione
CID 155528570
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
N-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]-4-nitrobenzamide
CID 3954610
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55673267

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine (CID 135223031) is 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine is Cc1ccccc1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine?
The InChIKey is SZYOJTSGDHXDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-11-4-2-3-5-14(11)15-10-22-16(18-15)17-12-6-8-13(9-7-12)19(20)21/h2-10H,1H3,(H,17,18).
What are the key properties of 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine?
4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine has a molecular weight of 311.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 135223031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).