1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C15H27N3S — CID 56714130

IUPAC1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1csc(CNC(C)CN2CCCCCC2)n1
InChIInChI=1S/C15H27N3S/c1-3-14-12-19-15(17-14)10-16-13(2)11-18-8-6-4-5-7-9-18/h12-13,16H,3-11H2,1-2H3
InChIKeyRWJMMTOJBPZRLM-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.06
Rot. Bonds6

About 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine

1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 56714130) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID56714130
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1csc(CNC(C)CN2CCCCCC2)n1
InChIInChI=1S/C15H27N3S/c1-3-14-12-19-15(17-14)10-16-13(2)11-18-8-6-4-5-7-9-18/h12-13,16H,3-11H2,1-2H3
InChIKeyRWJMMTOJBPZRLM-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine 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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 78992450
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103247696
(2R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95204414
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
N-[[4-(1,4-thiazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62413800
N-[[4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 104692365
N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 103401557
N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386823
N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112700198
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 56714130) is 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCc1csc(CNC(C)CN2CCCCCC2)n1.
What is the InChIKey of 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is RWJMMTOJBPZRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-14-12-19-15(17-14)10-16-13(2)11-18-8-6-4-5-7-9-18/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 56714130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).