4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine

C17H12ClN5S — CID 21236459

IUPAC4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C17H12ClN5S/c18-13-5-1-12(2-6-13)16-9-20-22-23(16)14-7-3-11(4-8-14)15-10-24-17(19)21-15/h1-10H,(H2,19,21)
InChIKeyGXDDFRBXBWOXGI-UHFFFAOYSA-N
MW353.84 g/mol
LogP4.29
Rot. Bonds3

About 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine

4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine (PubChem CID 21236459) has the molecular formula C17H12ClN5S and a molecular weight of 353.84 g/mol. Its IUPAC name is 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine
PubChem CID21236459
Molecular FormulaC17H12ClN5S
Molecular Weight353.84 g/mol
Exact Mass353.05
IUPAC Name4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C17H12ClN5S/c18-13-5-1-12(2-6-13)16-9-20-22-23(16)14-7-3-11(4-8-14)15-10-24-17(19)21-15/h1-10H,(H2,19,21)
InChIKeyGXDDFRBXBWOXGI-UHFFFAOYSA-N
XLogP4.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine (CID 21236459) is 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)cs1.
What is the InChIKey of 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is GXDDFRBXBWOXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5S/c18-13-5-1-12(2-6-13)16-9-20-22-23(16)14-7-3-11(4-8-14)15-10-24-17(19)21-15/h1-10H,(H2,19,21).
What are the key properties of 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine?
4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 353.84 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 21236459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).