2-Amino-4-phenylthiazole

C9H8N2S — CID 40302

IUPAC4-phenyl-1,3-thiazol-2-amine
SMILESC1=CC=C(C=C1)C2=CSC(=N2)N
InChIInChI=1S/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
InChIKeyPYSJLPAOBIGQPK-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.30
Rot. Bonds1

About 2-Amino-4-phenylthiazole

2-Amino-4-phenylthiazole (PubChem CID 40302) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-Amino-4-phenylthiazole
PubChem CID40302
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name4-phenyl-1,3-thiazol-2-amine
SMILESC1=CC=C(C=C1)C2=CSC(=N2)N
InChIInChI=1S/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
InChIKeyPYSJLPAOBIGQPK-UHFFFAOYSA-N
XLogP2.30
TPSA67.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,5-diphenylthiazole
CID 73222
2-Amino-4-(p-nitrophenyl)thiazole
CID 16420
2-Amino-4-phenyl-5-methylthiazole
CID 96129
4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
2-Methyl-4-phenyl-1,3-thiazole
CID 584377
4-(2-Naphthyl)-1,3-thiazol-2-amine
CID 673702

Frequently Asked Questions

What is the IUPAC name of 2-Amino-4-phenylthiazole?
The IUPAC name of 2-Amino-4-phenylthiazole (CID 40302) is 4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 2-Amino-4-phenylthiazole?
The canonical SMILES for 2-Amino-4-phenylthiazole is C1=CC=C(C=C1)C2=CSC(=N2)N.
What is the InChIKey of 2-Amino-4-phenylthiazole?
The InChIKey is PYSJLPAOBIGQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11).
What are the key properties of 2-Amino-4-phenylthiazole?
2-Amino-4-phenylthiazole has a molecular weight of 176.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-4-phenylthiazole is sourced from PubChem (CID 40302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).