1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine

C14H24N2S — CID 113255341

IUPAC1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCCc1ncc(CNCC2(C)CCCCC2)s1
InChIInChI=1S/C14H24N2S/c1-3-13-16-10-12(17-13)9-15-11-14(2)7-5-4-6-8-14/h10,15H,3-9,11H2,1-2H3
InChIKeyBQSRFZNQCJRZNX-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.77
Rot. Bonds5

About 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine

1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine (PubChem CID 113255341) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
PubChem CID113255341
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCCc1ncc(CNCC2(C)CCCCC2)s1
InChIInChI=1S/C14H24N2S/c1-3-13-16-10-12(17-13)9-15-11-14(2)7-5-4-6-8-14/h10,15H,3-9,11H2,1-2H3
InChIKeyBQSRFZNQCJRZNX-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine (CID 113255341) is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine is CCc1ncc(CNCC2(C)CCCCC2)s1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The InChIKey is BQSRFZNQCJRZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-13-16-10-12(17-13)9-15-11-14(2)7-5-4-6-8-14/h10,15H,3-9,11H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 113255341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).