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

C11H14N4S3 — CID 82436705

IUPAC5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2sc(CSC)nc2C2CC2)s1
InChIInChI=1S/C11H14N4S3/c1-12-11-15-14-10(18-11)9-8(6-3-4-6)13-7(17-9)5-16-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyLQNPMRFFNSLTSS-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.44
Rot. Bonds5

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

5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 82436705) has the molecular formula C11H14N4S3 and a molecular weight of 298.46 g/mol. Its IUPAC name is 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID82436705
Molecular FormulaC11H14N4S3
Molecular Weight298.46 g/mol
Exact Mass298.04
IUPAC Name5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2sc(CSC)nc2C2CC2)s1
InChIInChI=1S/C11H14N4S3/c1-12-11-15-14-10(18-11)9-8(6-3-4-6)13-7(17-9)5-16-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyLQNPMRFFNSLTSS-UHFFFAOYSA-N
XLogP3.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436177
N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82432074
5-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435916
5-(bromomethyl)-4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazole
CID 82436694
3-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 82436703
5-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 82435861
N-[[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82436687
5-(2,4-dicyclopropyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82436910
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 58313047
5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82426648
N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425771
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine;ethane
CID 143124227

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 82436705) is 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2sc(CSC)nc2C2CC2)s1.
What is the InChIKey of 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LQNPMRFFNSLTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S3/c1-12-11-15-14-10(18-11)9-8(6-3-4-6)13-7(17-9)5-16-2/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 298.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82436705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).