3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C11H16N4S2 — CID 133484381

IUPAC3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1cnc(CNc2nc(CC(C)C)ns2)s1
InChIInChI=1S/C11H16N4S2/c1-7(2)4-9-14-11(17-15-9)13-6-10-12-5-8(3)16-10/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyMVNYSKOUDPBCEM-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.11
Rot. Bonds5

About 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine

3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133484381) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133484381
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1cnc(CNc2nc(CC(C)C)ns2)s1
InChIInChI=1S/C11H16N4S2/c1-7(2)4-9-14-11(17-15-9)13-6-10-12-5-8(3)16-10/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyMVNYSKOUDPBCEM-UHFFFAOYSA-N
XLogP3.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-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 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 133484381) is 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1cnc(CNc2nc(CC(C)C)ns2)s1.
What is the InChIKey of 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is MVNYSKOUDPBCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-7(2)4-9-14-11(17-15-9)13-6-10-12-5-8(3)16-10/h5,7H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 268.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133484381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).