3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine

C12H10N4S — CID 174747123

IUPAC3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine
SMILESNc1cnc(-c2nccs2)n1-c1ccccc1
InChIInChI=1S/C12H10N4S/c13-10-8-15-11(12-14-6-7-17-12)16(10)9-4-2-1-3-5-9/h1-8H,13H2
InChIKeyPZZKMKYQKQFALY-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.58
Rot. Bonds2

About 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine

3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine (PubChem CID 174747123) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine
PubChem CID174747123
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine
SMILESNc1cnc(-c2nccs2)n1-c1ccccc1
InChIInChI=1S/C12H10N4S/c13-10-8-15-11(12-14-6-7-17-12)16(10)9-4-2-1-3-5-9/h1-8H,13H2
InChIKeyPZZKMKYQKQFALY-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine?
The IUPAC name of 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine (CID 174747123) is 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine.
What is the SMILES notation for 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine?
The canonical SMILES for 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine is Nc1cnc(-c2nccs2)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine?
The InChIKey is PZZKMKYQKQFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-10-8-15-11(12-14-6-7-17-12)16(10)9-4-2-1-3-5-9/h1-8H,13H2.
What are the key properties of 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine?
3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine has a molecular weight of 242.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine is sourced from PubChem (CID 174747123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).