N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine

C13H22N2S — CID 112645590

IUPACN-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
SMILESCNCC1CCCCCC1Cc1cncs1
InChIInChI=1S/C13H22N2S/c1-14-8-12-6-4-2-3-5-11(12)7-13-9-15-10-16-13/h9-12,14H,2-8H2,1H3
InChIKeyZFBQMOSVTUVPCJ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.10
Rot. Bonds4

About N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine

N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine (PubChem CID 112645590) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
PubChem CID112645590
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
SMILESCNCC1CCCCCC1Cc1cncs1
InChIInChI=1S/C13H22N2S/c1-14-8-12-6-4-2-3-5-11(12)7-13-9-15-10-16-13/h9-12,14H,2-8H2,1H3
InChIKeyZFBQMOSVTUVPCJ-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
CID 112645572
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 112645575
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81027975
2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
CID 112645527
N-methyl-1-[2-(1,3-thiazol-5-yl)cyclobutyl]methanamine
CID 164650946
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 112644380
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81034587
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine
CID 82882248
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
5-[(5-bromo-2-methylcyclohexyl)methyl]-1,3-thiazole
CID 165497474
N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine
CID 81026451

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine (CID 112645590) is N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine is CNCC1CCCCCC1Cc1cncs1.
What is the InChIKey of N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine?
The InChIKey is ZFBQMOSVTUVPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-14-8-12-6-4-2-3-5-11(12)7-13-9-15-10-16-13/h9-12,14H,2-8H2,1H3.
What are the key properties of N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine?
N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine is sourced from PubChem (CID 112645590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).