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

C5H4ClN5S — CID 168877940

IUPAC5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-n2cncn2)c(Cl)s1
InChIInChI=1S/C5H4ClN5S/c6-3-4(10-5(7)12-3)11-2-8-1-9-11/h1-2H,(H2,7,10)
InChIKeyNPEJCJBVHHALBH-UHFFFAOYSA-N
MW201.64 g/mol
LogP0.96
Rot. Bonds1

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

5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (PubChem CID 168877940) has the molecular formula C5H4ClN5S and a molecular weight of 201.64 g/mol. Its IUPAC name is 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
PubChem CID168877940
Molecular FormulaC5H4ClN5S
Molecular Weight201.64 g/mol
Exact Mass200.99
IUPAC Name5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-n2cncn2)c(Cl)s1
InChIInChI=1S/C5H4ClN5S/c6-3-4(10-5(7)12-3)11-2-8-1-9-11/h1-2H,(H2,7,10)
InChIKeyNPEJCJBVHHALBH-UHFFFAOYSA-N
XLogP0.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 141311074
CID 141311074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (CID 168877940) is 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is Nc1nc(-n2cncn2)c(Cl)s1.
What is the InChIKey of 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The InChIKey is NPEJCJBVHHALBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5S/c6-3-4(10-5(7)12-3)11-2-8-1-9-11/h1-2H,(H2,7,10).
What are the key properties of 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine has a molecular weight of 201.64 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 168877940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).