[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine

C15H25N3S — CID 82437914

IUPAC[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CCN2CCCCCC2)nc1C1CC1
InChIInChI=1S/C15H25N3S/c16-11-13-15(12-5-6-12)17-14(19-13)7-10-18-8-3-1-2-4-9-18/h12H,1-11,16H2
InChIKeyMBKJISKUQKRNKS-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.90
Rot. Bonds5

About [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine

[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82437914) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
PubChem CID82437914
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CCN2CCCCCC2)nc1C1CC1
InChIInChI=1S/C15H25N3S/c16-11-13-15(12-5-6-12)17-14(19-13)7-10-18-8-3-1-2-4-9-18/h12H,1-11,16H2
InChIKeyMBKJISKUQKRNKS-UHFFFAOYSA-N
XLogP2.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (CID 82437914) is [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is NCc1sc(CCN2CCCCCC2)nc1C1CC1.
What is the InChIKey of [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is MBKJISKUQKRNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c16-11-13-15(12-5-6-12)17-14(19-13)7-10-18-8-3-1-2-4-9-18/h12H,1-11,16H2.
What are the key properties of [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 279.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82437914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).