1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine

C13H22N2S — CID 105030739

IUPAC1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESNC(Cc1cncs1)CC1CCCCCC1
InChIInChI=1S/C13H22N2S/c14-12(8-13-9-15-10-16-13)7-11-5-3-1-2-4-6-11/h9-12H,1-8,14H2
InChIKeyIFPUBWQMRYITRA-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.37
Rot. Bonds4

About 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 105030739) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID105030739
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESNC(Cc1cncs1)CC1CCCCCC1
InChIInChI=1S/C13H22N2S/c14-12(8-13-9-15-10-16-13)7-11-5-3-1-2-4-6-11/h9-12H,1-8,14H2
InChIKeyIFPUBWQMRYITRA-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(1,3-thiazol-5-yl)ethanamine
CID 82399288
[1-cyclopropyl-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105254030
1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
CID 114458094
[2-cyclohexyl-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253713
1-cyclohexyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105014924
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
1-cyclopentyl-3-(furan-2-yl)propan-2-amine
CID 105029465
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 103457418

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 105030739) is 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine is NC(Cc1cncs1)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is IFPUBWQMRYITRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c14-12(8-13-9-15-10-16-13)7-11-5-3-1-2-4-6-11/h9-12H,1-8,14H2.
What are the key properties of 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 105030739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).