2-(1,2-thiazol-4-yl)cyclohexan-1-amine

C9H14N2S — CID 164657435

IUPAC2-(1,2-thiazol-4-yl)cyclohexan-1-amine
SMILESNC1CCCCC1c1cnsc1
InChIInChI=1S/C9H14N2S/c10-9-4-2-1-3-8(9)7-5-11-12-6-7/h5-6,8-9H,1-4,10H2
InChIKeyXGODCRMTDUTFOE-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.13
Rot. Bonds1

About 2-(1,2-thiazol-4-yl)cyclohexan-1-amine

2-(1,2-thiazol-4-yl)cyclohexan-1-amine (PubChem CID 164657435) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(1,2-thiazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,2-thiazol-4-yl)cyclohexan-1-amine
PubChem CID164657435
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-(1,2-thiazol-4-yl)cyclohexan-1-amine
SMILESNC1CCCCC1c1cnsc1
InChIInChI=1S/C9H14N2S/c10-9-4-2-1-3-8(9)7-5-11-12-6-7/h5-6,8-9H,1-4,10H2
InChIKeyXGODCRMTDUTFOE-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-4-yl)cyclohexan-1-amine?
The IUPAC name of 2-(1,2-thiazol-4-yl)cyclohexan-1-amine (CID 164657435) is 2-(1,2-thiazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(1,2-thiazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(1,2-thiazol-4-yl)cyclohexan-1-amine is NC1CCCCC1c1cnsc1.
What is the InChIKey of 2-(1,2-thiazol-4-yl)cyclohexan-1-amine?
The InChIKey is XGODCRMTDUTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c10-9-4-2-1-3-8(9)7-5-11-12-6-7/h5-6,8-9H,1-4,10H2.
What are the key properties of 2-(1,2-thiazol-4-yl)cyclohexan-1-amine?
2-(1,2-thiazol-4-yl)cyclohexan-1-amine has a molecular weight of 182.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 164657435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).