3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine

C10H19ClN2S — CID 163180640

IUPAC3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine
SMILESNC1SCCN1CC1CCC(Cl)CC1
InChIInChI=1S/C10H19ClN2S/c11-9-3-1-8(2-4-9)7-13-5-6-14-10(13)12/h8-10H,1-7,12H2
InChIKeyUHPNRSWVYQBLGF-UHFFFAOYSA-N
MW234.80 g/mol
LogP2.08
Rot. Bonds2

About 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine

3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine (PubChem CID 163180640) has the molecular formula C10H19ClN2S and a molecular weight of 234.80 g/mol. Its IUPAC name is 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine.

Molecular Properties

Compound Name3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine
PubChem CID163180640
Molecular FormulaC10H19ClN2S
Molecular Weight234.80 g/mol
Exact Mass234.10
IUPAC Name3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine
SMILESNC1SCCN1CC1CCC(Cl)CC1
InChIInChI=1S/C10H19ClN2S/c11-9-3-1-8(2-4-9)7-13-5-6-14-10(13)12/h8-10H,1-7,12H2
InChIKeyUHPNRSWVYQBLGF-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine?
The IUPAC name of 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine (CID 163180640) is 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine.
What is the SMILES notation for 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine?
The canonical SMILES for 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine is NC1SCCN1CC1CCC(Cl)CC1.
What is the InChIKey of 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine?
The InChIKey is UHPNRSWVYQBLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2S/c11-9-3-1-8(2-4-9)7-13-5-6-14-10(13)12/h8-10H,1-7,12H2.
What are the key properties of 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine?
3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine has a molecular weight of 234.80 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine is sourced from PubChem (CID 163180640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).