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

C12H21N3S — CID 63625093

IUPACN-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(N2CCCC(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-10-4-3-6-15(7-5-10)12-14-9-11(16-12)8-13-2/h9-10,13H,3-8H2,1-2H3
InChIKeyFCOUDKSKHMCXAS-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.49
Rot. Bonds3

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

N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63625093) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63625093
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(N2CCCC(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-10-4-3-6-15(7-5-10)12-14-9-11(16-12)8-13-2/h9-10,13H,3-8H2,1-2H3
InChIKeyFCOUDKSKHMCXAS-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (CID 63625093) is N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is CNCc1cnc(N2CCCC(C)CC2)s1.
What is the InChIKey of N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FCOUDKSKHMCXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-4-3-6-15(7-5-10)12-14-9-11(16-12)8-13-2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63625093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).