4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine

C14H24N2S — CID 65168897

IUPAC4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCC2CCCC(C)C2)sc1C
InChIInChI=1S/C14H24N2S/c1-10-5-4-6-13(9-10)7-8-15-14-16-11(2)12(3)17-14/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyFNFNODSXTHYTBN-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.39
Rot. Bonds4

About 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 65168897) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine
PubChem CID65168897
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCC2CCCC(C)C2)sc1C
InChIInChI=1S/C14H24N2S/c1-10-5-4-6-13(9-10)7-8-15-14-16-11(2)12(3)17-14/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyFNFNODSXTHYTBN-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine (CID 65168897) is 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine is Cc1nc(NCCC2CCCC(C)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is FNFNODSXTHYTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-5-4-6-13(9-10)7-8-15-14-16-11(2)12(3)17-14/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 252.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65168897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).