2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine

C10H16N2S — CID 83484853

IUPAC2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCCC1Cc1cscn1
InChIInChI=1S/C10H16N2S/c11-10-4-2-1-3-8(10)5-9-6-13-7-12-9/h6-8,10H,1-5,11H2
InChIKeyCMLJPJNAMQBCGQ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.20
Rot. Bonds2

About 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine

2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 83484853) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID83484853
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCCC1Cc1cscn1
InChIInChI=1S/C10H16N2S/c11-10-4-2-1-3-8(10)5-9-6-13-7-12-9/h6-8,10H,1-5,11H2
InChIKeyCMLJPJNAMQBCGQ-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine (CID 83484853) is 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine is NC1CCCCC1Cc1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is CMLJPJNAMQBCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c11-10-4-2-1-3-8(10)5-9-6-13-7-12-9/h6-8,10H,1-5,11H2.
What are the key properties of 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 83484853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).