N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine

C12H19ClN2S — CID 106125836

IUPACN-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCC2CCC(Cl)CC2)n1
InChIInChI=1S/C12H19ClN2S/c1-2-11-8-16-12(15-11)14-7-9-3-5-10(13)6-4-9/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyUXIHVJMOGCJCMA-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.91
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine

N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 106125836) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID106125836
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCC2CCC(Cl)CC2)n1
InChIInChI=1S/C12H19ClN2S/c1-2-11-8-16-12(15-11)14-7-9-3-5-10(13)6-4-9/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyUXIHVJMOGCJCMA-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.91
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 N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 106125836) is N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NCC2CCC(Cl)CC2)n1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is UXIHVJMOGCJCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-2-11-8-16-12(15-11)14-7-9-3-5-10(13)6-4-9/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 258.82 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 106125836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).