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

C15H27N3S — CID 55112709

IUPACN-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(N2CCCCCC2)sc1CNCC
InChIInChI=1S/C15H27N3S/c1-3-9-13-14(12-16-4-2)19-15(17-13)18-10-7-5-6-8-11-18/h16H,3-12H2,1-2H3
InChIKeyRMVBVENYUQQNKK-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.59
Rot. Bonds6

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

N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 55112709) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID55112709
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(N2CCCCCC2)sc1CNCC
InChIInChI=1S/C15H27N3S/c1-3-9-13-14(12-16-4-2)19-15(17-13)18-10-7-5-6-8-11-18/h16H,3-12H2,1-2H3
InChIKeyRMVBVENYUQQNKK-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107395753
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103540376
N-[[4-propyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114540518
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 63619349
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034
N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62766450

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 55112709) is N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(N2CCCCCC2)sc1CNCC.
What is the InChIKey of N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is RMVBVENYUQQNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-9-13-14(12-16-4-2)19-15(17-13)18-10-7-5-6-8-11-18/h16H,3-12H2,1-2H3.
What are the key properties of N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55112709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).