4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine

C13H20N6S2 — CID 71968937

IUPAC4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine
SMILESCC(C)n1c(N)nnc1SCc1csc(N(C)C2CC2)n1
InChIInChI=1S/C13H20N6S2/c1-8(2)19-11(14)16-17-13(19)21-7-9-6-20-12(15-9)18(3)10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyDANGXJKVCWSCSR-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.79
Rot. Bonds6

About 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine

4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 71968937) has the molecular formula C13H20N6S2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine
PubChem CID71968937
Molecular FormulaC13H20N6S2
Molecular Weight324.48 g/mol
Exact Mass324.12
IUPAC Name4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine
SMILESCC(C)n1c(N)nnc1SCc1csc(N(C)C2CC2)n1
InChIInChI=1S/C13H20N6S2/c1-8(2)19-11(14)16-17-13(19)21-7-9-6-20-12(15-9)18(3)10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyDANGXJKVCWSCSR-UHFFFAOYSA-N
XLogP2.79
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine (CID 71968937) is 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine is CC(C)n1c(N)nnc1SCc1csc(N(C)C2CC2)n1.
What is the InChIKey of 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DANGXJKVCWSCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S2/c1-8(2)19-11(14)16-17-13(19)21-7-9-6-20-12(15-9)18(3)10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,14,16).
What are the key properties of 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine?
4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 324.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 71968937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).