N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine

C14H24N2S — CID 61330809

IUPACN-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)c(C)s1)C1CCCCC1
InChIInChI=1S/C14H24N2S/c1-4-15-13(12-8-6-5-7-9-12)14-16-10(2)11(3)17-14/h12-13,15H,4-9H2,1-3H3
InChIKeyZDMRYJNSMAPERL-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.99
Rot. Bonds4

About N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine

N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61330809) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61330809
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)c(C)s1)C1CCCCC1
InChIInChI=1S/C14H24N2S/c1-4-15-13(12-8-6-5-7-9-12)14-16-10(2)11(3)17-14/h12-13,15H,4-9H2,1-3H3
InChIKeyZDMRYJNSMAPERL-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 61330809) is N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C)c(C)s1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is ZDMRYJNSMAPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-15-13(12-8-6-5-7-9-12)14-16-10(2)11(3)17-14/h12-13,15H,4-9H2,1-3H3.
What are the key properties of N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61330809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).