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

C14H24N2S — CID 64540574

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCc1nc(C)c(CNCC2CCC(C)CC2)s1
InChIInChI=1S/C14H24N2S/c1-10-4-6-13(7-5-10)8-15-9-14-11(2)16-12(3)17-14/h10,13,15H,4-9H2,1-3H3
InChIKeyIHATXTLMYQSFIZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.68
Rot. Bonds4

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 64540574) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID64540574
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCc1nc(C)c(CNCC2CCC(C)CC2)s1
InChIInChI=1S/C14H24N2S/c1-10-4-6-13(7-5-10)8-15-9-14-11(2)16-12(3)17-14/h10,13,15H,4-9H2,1-3H3
InChIKeyIHATXTLMYQSFIZ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 64540574) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine is Cc1nc(C)c(CNCC2CCC(C)CC2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is IHATXTLMYQSFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-4-6-13(7-5-10)8-15-9-14-11(2)16-12(3)17-14/h10,13,15H,4-9H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 64540574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).