N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine

C14H10ClN5S2 — CID 1487462

IUPACN-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(Nc3ccc(Cl)cc3)n2)sc2ncnn12
InChIInChI=1S/C14H10ClN5S2/c1-8-12(22-14-16-7-17-20(8)14)11-6-21-13(19-11)18-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,18,19)
InChIKeyJQUZCDFPWIIAGK-UHFFFAOYSA-N
MW347.86 g/mol
LogP4.62
Rot. Bonds3

About N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine

N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 1487462) has the molecular formula C14H10ClN5S2 and a molecular weight of 347.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine
PubChem CID1487462
Molecular FormulaC14H10ClN5S2
Molecular Weight347.86 g/mol
Exact Mass347.01
IUPAC NameN-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(Nc3ccc(Cl)cc3)n2)sc2ncnn12
InChIInChI=1S/C14H10ClN5S2/c1-8-12(22-14-16-7-17-20(8)14)11-6-21-13(19-11)18-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,18,19)
InChIKeyJQUZCDFPWIIAGK-UHFFFAOYSA-N
XLogP4.62
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine (CID 1487462) is N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine is Cc1c(-c2csc(Nc3ccc(Cl)cc3)n2)sc2ncnn12.
What is the InChIKey of N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is JQUZCDFPWIIAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5S2/c1-8-12(22-14-16-7-17-20(8)14)11-6-21-13(19-11)18-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 347.86 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1487462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).