4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine

C15H26N2S — CID 65086224

IUPAC4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCC(C)c1csc(C2(N)CCCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N2S/c1-11(2)12-10-18-13(17-12)15(16)7-5-6-14(3,4)8-9-15/h10-11H,5-9,16H2,1-4H3
InChIKeyFAQZGOXYFCORKW-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.41
Rot. Bonds2

About 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine

4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 65086224) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID65086224
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCC(C)c1csc(C2(N)CCCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N2S/c1-11(2)12-10-18-13(17-12)15(16)7-5-6-14(3,4)8-9-15/h10-11H,5-9,16H2,1-4H3
InChIKeyFAQZGOXYFCORKW-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-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 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine (CID 65086224) is 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine is CC(C)c1csc(C2(N)CCCC(C)(C)CC2)n1.
What is the InChIKey of 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is FAQZGOXYFCORKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11(2)12-10-18-13(17-12)15(16)7-5-6-14(3,4)8-9-15/h10-11H,5-9,16H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65086224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).