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

C17H30N2S — CID 114363337

IUPACN-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2CCC(CCC)CC2)sc1CNC
InChIInChI=1S/C17H30N2S/c1-4-6-13-8-10-14(11-9-13)17-19-15(7-5-2)16(20-17)12-18-3/h13-14,18H,4-12H2,1-3H3
InChIKeyYOUBHYKXRFFHIC-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.89
Rot. Bonds7

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

N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114363337) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114363337
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2CCC(CCC)CC2)sc1CNC
InChIInChI=1S/C17H30N2S/c1-4-6-13-8-10-14(11-9-13)17-19-15(7-5-2)16(20-17)12-18-3/h13-14,18H,4-12H2,1-3H3
InChIKeyYOUBHYKXRFFHIC-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-tert-butylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363593
N-methyl-1-[2-(oxan-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363589
1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841127
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82432255
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367070
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257
[2-(4-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361233
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406205

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine (CID 114363337) is N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine is CCCc1nc(C2CCC(CCC)CC2)sc1CNC.
What is the InChIKey of N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YOUBHYKXRFFHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-6-13-8-10-14(11-9-13)17-19-15(7-5-2)16(20-17)12-18-3/h13-14,18H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114363337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).