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

C15H14ClN5S2 — CID 9269320

IUPAC3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1C1CC1
InChIInChI=1S/C15H14ClN5S2/c16-12-4-2-1-3-11(12)14-18-10(7-22-14)8-23-15-20-19-13(21(15)17)9-5-6-9/h1-4,7,9H,5-6,8,17H2
InChIKeySDPKUBYHSNILPS-UHFFFAOYSA-N
MW363.90 g/mol
LogP3.94
Rot. Bonds5

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

3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine (PubChem CID 9269320) has the molecular formula C15H14ClN5S2 and a molecular weight of 363.90 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine
PubChem CID9269320
Molecular FormulaC15H14ClN5S2
Molecular Weight363.90 g/mol
Exact Mass363.04
IUPAC Name3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine
SMILESNn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1C1CC1
InChIInChI=1S/C15H14ClN5S2/c16-12-4-2-1-3-11(12)14-18-10(7-22-14)8-23-15-20-19-13(21(15)17)9-5-6-9/h1-4,7,9H,5-6,8,17H2
InChIKeySDPKUBYHSNILPS-UHFFFAOYSA-N
XLogP3.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine (CID 9269320) is 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine is Nn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1C1CC1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine?
The InChIKey is SDPKUBYHSNILPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5S2/c16-12-4-2-1-3-11(12)14-18-10(7-22-14)8-23-15-20-19-13(21(15)17)9-5-6-9/h1-4,7,9H,5-6,8,17H2.
What are the key properties of 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine?
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine has a molecular weight of 363.90 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 9269320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).