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

C13H18N4S2 — CID 82435861

IUPAC5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nc(C2CC2)c(-c2nnc(NCC(C)C)s2)s1
InChIInChI=1S/C13H18N4S2/c1-7(2)6-14-13-17-16-12(19-13)11-10(9-4-5-9)15-8(3)18-11/h7,9H,4-6H2,1-3H3,(H,14,17)
InChIKeyJMNCTHVCEHLISP-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.92
Rot. Bonds5

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

5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 82435861) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID82435861
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nc(C2CC2)c(-c2nnc(NCC(C)C)s2)s1
InChIInChI=1S/C13H18N4S2/c1-7(2)6-14-13-17-16-12(19-13)11-10(9-4-5-9)15-8(3)18-11/h7,9H,4-6H2,1-3H3,(H,14,17)
InChIKeyJMNCTHVCEHLISP-UHFFFAOYSA-N
XLogP3.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-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

Related Compounds

5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435916
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82436910
N-(2-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436177
5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436705
N-ethyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82428133
5-(2-methylphenyl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 18524386
4-methyl-3-thia-5-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene
CID 58266970
5-(4-methylcyclohexyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812288
3-methyl-5-[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]-1H-pyridazin-6-one
CID 82442595
N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82428139
N-(2-methylpropyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422487

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 82435861) is 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is Cc1nc(C2CC2)c(-c2nnc(NCC(C)C)s2)s1.
What is the InChIKey of 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JMNCTHVCEHLISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-7(2)6-14-13-17-16-12(19-13)11-10(9-4-5-9)15-8(3)18-11/h7,9H,4-6H2,1-3H3,(H,14,17).
What are the key properties of 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82435861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).