4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine

C15H26N2S — CID 65084804

IUPAC4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
SMILESCc1csc(C2(NC(C)C)CCCC(C)CC2)n1
InChIInChI=1S/C15H26N2S/c1-11(2)17-15(14-16-13(4)10-18-14)8-5-6-12(3)7-9-15/h10-12,17H,5-9H2,1-4H3
InChIKeyVNIJAUNVWHZTHM-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.25
Rot. Bonds3

About 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine

4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine (PubChem CID 65084804) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
PubChem CID65084804
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
SMILESCc1csc(C2(NC(C)C)CCCC(C)CC2)n1
InChIInChI=1S/C15H26N2S/c1-11(2)17-15(14-16-13(4)10-18-14)8-5-6-12(3)7-9-15/h10-12,17H,5-9H2,1-4H3
InChIKeyVNIJAUNVWHZTHM-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-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-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine (CID 65084804) is 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine is Cc1csc(C2(NC(C)C)CCCC(C)CC2)n1.
What is the InChIKey of 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine?
The InChIKey is VNIJAUNVWHZTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11(2)17-15(14-16-13(4)10-18-14)8-5-6-12(3)7-9-15/h10-12,17H,5-9H2,1-4H3.
What are the key properties of 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine?
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65084804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).