(4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate

C28H52N2O3S — CID 56992851

IUPAC(4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate
SMILESCCCCCCCCCCCCCCC1COC(COC(=O)NCCCCCN2C=CSC2)C1
InChIInChI=1S/C28H52N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-26-22-27(32-23-26)24-33-28(31)29-18-15-13-16-19-30-20-21-34-25-30/h20-21,26-27H,2-19,22-25H2,1H3,(H,29,31)
InChIKeySNZHBTIKEGLQOJ-UHFFFAOYSA-N
MW496.80 g/mol
LogP7.86
Rot. Bonds21

About (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate

(4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate (PubChem CID 56992851) has the molecular formula C28H52N2O3S and a molecular weight of 496.80 g/mol. Its IUPAC name is (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate.

Molecular Properties

Compound Name(4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate
PubChem CID56992851
Molecular FormulaC28H52N2O3S
Molecular Weight496.80 g/mol
Exact Mass496.37
IUPAC Name(4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate
SMILESCCCCCCCCCCCCCCC1COC(COC(=O)NCCCCCN2C=CSC2)C1
InChIInChI=1S/C28H52N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-26-22-27(32-23-26)24-33-28(31)29-18-15-13-16-19-30-20-21-34-25-30/h20-21,26-27H,2-19,22-25H2,1H3,(H,29,31)
InChIKeySNZHBTIKEGLQOJ-UHFFFAOYSA-N
XLogP7.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.80
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-hexadecyloxolan-2-yl)methyl 4-(2H-1,3-thiazol-3-yl)butyl carbonate
CID 57126901
oxiran-2-ylmethyl N-decylcarbamate
CID 102421283
[(2S,4R)-4-octadecyloxolan-2-yl]methyl N-(pyridin-2-ylmethyl)carbamate
CID 67903542
[(2S)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]-3-[5-(2H-1,3-thiazol-3-yl)pentylcarbamoyloxy]propyl] N-heptadecylcarbamate;hydrobromide
CID 173361406
3-hexadecyl-2H-1,3-thiazole
CID 57301899
[4-(hydroxymethyl)oxetan-2-yl]methyl N-octadecylcarbamate
CID 21463379
[1-[[3-(heptadecylcarbamoyloxy)oxan-2-yl]methoxy]-8-(2H-1,3-thiazol-3-yl)octan-2-yl] acetate
CID 57037846
4-methylbenzenesulfonate;[4-(pentadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate
CID 14785903
[4-(hexadecoxymethyl)oxolan-2-yl]methyl N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]carbamate
CID 14786019
3-(4-tetradecoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410750
3-butyl-2H-1,3-thiazole
CID 57017681
[(2S,4S)-4-(tetradecoxymethyl)oxolan-2-yl]methyl N-(pyridin-2-ylmethyl)carbamate
CID 67904056

Frequently Asked Questions

What is the IUPAC name of (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate?
The IUPAC name of (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate (CID 56992851) is (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate.
What is the SMILES notation for (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate?
The canonical SMILES for (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate is CCCCCCCCCCCCCCC1COC(COC(=O)NCCCCCN2C=CSC2)C1.
What is the InChIKey of (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate?
The InChIKey is SNZHBTIKEGLQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-26-22-27(32-23-26)24-33-28(31)29-18-15-13-16-19-30-20-21-34-25-30/h20-21,26-27H,2-19,22-25H2,1H3,(H,29,31).
What are the key properties of (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate?
(4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate has a molecular weight of 496.80 g/mol, XLogP of 7.86, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tetradecyloxolan-2-yl)methyl N-[5-(2H-1,3-thiazol-3-yl)pentyl]carbamate is sourced from PubChem (CID 56992851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).