4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine

C12H21N3S — CID 103359922

IUPAC4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCCCCC1C
InChIInChI=1S/C12H21N3S/c1-8-6-4-3-5-7-10(8)14-12-9(2)11(13)15-16-12/h8,10,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyRTDYEZXALLYETB-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.41
Rot. Bonds2

About 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine

4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359922) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
PubChem CID103359922
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CCCCCC1C
InChIInChI=1S/C12H21N3S/c1-8-6-4-3-5-7-10(8)14-12-9(2)11(13)15-16-12/h8,10,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyRTDYEZXALLYETB-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine 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-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine (CID 103359922) is 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC1CCCCCC1C.
What is the InChIKey of 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RTDYEZXALLYETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8-6-4-3-5-7-10(8)14-12-9(2)11(13)15-16-12/h8,10,14H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine has a molecular weight of 239.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).