2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole

C14H24NO3PS — CID 154793219

IUPAC2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
SMILESCCOP(=O)(Cc1csc(C2CCCCC2)n1)OCC
InChIInChI=1S/C14H24NO3PS/c1-3-17-19(16,18-4-2)10-13-11-20-14(15-13)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3
InChIKeyNNQLNXIIVTUNCG-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.96
Rot. Bonds7

About 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole

2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole (PubChem CID 154793219) has the molecular formula C14H24NO3PS and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
PubChem CID154793219
Molecular FormulaC14H24NO3PS
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
SMILESCCOP(=O)(Cc1csc(C2CCCCC2)n1)OCC
InChIInChI=1S/C14H24NO3PS/c1-3-17-19(16,18-4-2)10-13-11-20-14(15-13)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3
InChIKeyNNQLNXIIVTUNCG-UHFFFAOYSA-N
XLogP4.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
CID 159390747
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
CID 116888387
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole?
The IUPAC name of 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole (CID 154793219) is 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole?
The canonical SMILES for 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole is CCOP(=O)(Cc1csc(C2CCCCC2)n1)OCC.
What is the InChIKey of 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole?
The InChIKey is NNQLNXIIVTUNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO3PS/c1-3-17-19(16,18-4-2)10-13-11-20-14(15-13)12-8-6-5-7-9-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole?
2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole has a molecular weight of 317.39 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole is sourced from PubChem (CID 154793219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).