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

C11H19N3S — CID 103982153

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
SMILESc1nc(CCNC2CCCNCC2)cs1
InChIInChI=1S/C11H19N3S/c1-2-10(3-6-12-5-1)13-7-4-11-8-15-9-14-11/h8-10,12-13H,1-7H2
InChIKeyLSJNRZPZKTYFGH-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.42
Rot. Bonds4

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

N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine (PubChem CID 103982153) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
PubChem CID103982153
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
SMILESc1nc(CCNC2CCCNCC2)cs1
InChIInChI=1S/C11H19N3S/c1-2-10(3-6-12-5-1)13-7-4-11-8-15-9-14-11/h8-10,12-13H,1-7H2
InChIKeyLSJNRZPZKTYFGH-UHFFFAOYSA-N
XLogP1.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 63829174
1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
CID 79458882
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
N-[2-(1,3-thiazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 63829725
N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759630
2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63825914
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63825222
N-[2-(1,3-thiazol-4-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 63830955
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 79959217

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine (CID 103982153) is N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine is c1nc(CCNC2CCCNCC2)cs1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine?
The InChIKey is LSJNRZPZKTYFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-10(3-6-12-5-1)13-7-4-11-8-15-9-14-11/h8-10,12-13H,1-7H2.
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine?
N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine has a molecular weight of 225.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine is sourced from PubChem (CID 103982153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).