N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

C14H25N3S — CID 64569173

IUPACN-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCCCCN2)s1
InChIInChI=1S/C14H25N3S/c1-10(14-11(2)17-12(3)18-14)16-9-13-7-5-4-6-8-15-13/h10,13,15-16H,4-9H2,1-3H3
InChIKeyKVAXBAKSADYMOP-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.94
Rot. Bonds4

About N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 64569173) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID64569173
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCCCCN2)s1
InChIInChI=1S/C14H25N3S/c1-10(14-11(2)17-12(3)18-14)16-9-13-7-5-4-6-8-15-13/h10,13,15-16H,4-9H2,1-3H3
InChIKeyKVAXBAKSADYMOP-UHFFFAOYSA-N
XLogP2.94
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 54963110
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
CID 114430915
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 66471027
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622746
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603240
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-3-ylethyl)ethanamine
CID 62676178
N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 62575829
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 61192868
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628409

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 64569173) is N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(C)NCC2CCCCCN2)s1.
What is the InChIKey of N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is KVAXBAKSADYMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(14-11(2)17-12(3)18-14)16-9-13-7-5-4-6-8-15-13/h10,13,15-16H,4-9H2,1-3H3.
What are the key properties of N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 64569173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).