N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine

C13H22N2S — CID 79824744

IUPACN-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCCCNC1CCCC(Cc2nccs2)C1
InChIInChI=1S/C13H22N2S/c1-2-6-14-12-5-3-4-11(9-12)10-13-15-7-8-16-13/h7-8,11-12,14H,2-6,9-10H2,1H3
InChIKeyRGBVRHZOCQJKDC-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.24
Rot. Bonds5

About N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine

N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 79824744) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
PubChem CID79824744
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCCCNC1CCCC(Cc2nccs2)C1
InChIInChI=1S/C13H22N2S/c1-2-6-14-12-5-3-4-11(9-12)10-13-15-7-8-16-13/h7-8,11-12,14H,2-6,9-10H2,1H3
InChIKeyRGBVRHZOCQJKDC-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (CID 79824744) is N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is CCCNC1CCCC(Cc2nccs2)C1.
What is the InChIKey of N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is RGBVRHZOCQJKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-6-14-12-5-3-4-11(9-12)10-13-15-7-8-16-13/h7-8,11-12,14H,2-6,9-10H2,1H3.
What are the key properties of N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 79824744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).