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

C11H8ClN5S — CID 624007

IUPAC4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)c(-n2cncn2)s1
InChIInChI=1S/C11H8ClN5S/c12-8-3-1-7(2-4-8)9-10(18-11(13)16-9)17-6-14-5-15-17/h1-6H,(H2,13,16)
InChIKeyWTFZZSHADKJMRK-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.63
Rot. Bonds2

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

4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (PubChem CID 624007) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
PubChem CID624007
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)c(-n2cncn2)s1
InChIInChI=1S/C11H8ClN5S/c12-8-3-1-7(2-4-8)9-10(18-11(13)16-9)17-6-14-5-15-17/h1-6H,(H2,13,16)
InChIKeyWTFZZSHADKJMRK-UHFFFAOYSA-N
XLogP2.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (CID 624007) is 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Cl)cc2)c(-n2cncn2)s1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The InChIKey is WTFZZSHADKJMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-8-3-1-7(2-4-8)9-10(18-11(13)16-9)17-6-14-5-15-17/h1-6H,(H2,13,16).
What are the key properties of 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine has a molecular weight of 277.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 624007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).