1,3-thiazol-5-ylmethyl N-ethylcarbamate

C7H10N2O2S — CID 123862472

IUPAC1,3-thiazol-5-ylmethyl N-ethylcarbamate
SMILESCCNC(=O)OCc1cncs1
InChIInChI=1S/C7H10N2O2S/c1-2-9-7(10)11-4-6-3-8-5-12-6/h3,5H,2,4H2,1H3,(H,9,10)
InChIKeyABYMRAIYNYDWOQ-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.39
Rot. Bonds3

About 1,3-thiazol-5-ylmethyl N-ethylcarbamate

1,3-thiazol-5-ylmethyl N-ethylcarbamate (PubChem CID 123862472) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-ethylcarbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-ethylcarbamate
PubChem CID123862472
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name1,3-thiazol-5-ylmethyl N-ethylcarbamate
SMILESCCNC(=O)OCc1cncs1
InChIInChI=1S/C7H10N2O2S/c1-2-9-7(10)11-4-6-3-8-5-12-6/h3,5H,2,4H2,1H3,(H,9,10)
InChIKeyABYMRAIYNYDWOQ-UHFFFAOYSA-N
XLogP1.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-thiazol-5-ylmethyl N-[4-[2-(methylaminomethylamino)ethylamino]butyl]carbamate
CID 87946961
1,3-thiazol-5-ylmethyl N-(3-carbamoyloxy-4,4-dimethylpentyl)carbamate
CID 66832395
ethyl 2-[1,3-thiazol-5-ylmethoxycarbonyl-[3-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]acetate
CID 25094936
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
CID 67394506
1,3-thiazol-5-ylmethyl N-[3-hydroxy-1-phenyl-4-(phenylmethoxycarbonylamino)butan-2-yl]carbamate
CID 68973508
1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate
CID 123306319
5-(propoxymethyl)-1,3-thiazole
CID 178117265
propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate
CID 116658029
1,3-thiazol-5-ylmethyl N-[4-[2-[(2-phenylethylamino)methylamino]ethylamino]butyl]carbamate
CID 87928623
1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate
CID 86791542
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 57405187
1,3-thiazol-5-ylmethyl N-[(2S,3R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylbutan-2-yl]carbamate
CID 140557693

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-ethylcarbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-ethylcarbamate (CID 123862472) is 1,3-thiazol-5-ylmethyl N-ethylcarbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-ethylcarbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-ethylcarbamate is CCNC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-ethylcarbamate?
The InChIKey is ABYMRAIYNYDWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-9-7(10)11-4-6-3-8-5-12-6/h3,5H,2,4H2,1H3,(H,9,10).
What are the key properties of 1,3-thiazol-5-ylmethyl N-ethylcarbamate?
1,3-thiazol-5-ylmethyl N-ethylcarbamate has a molecular weight of 186.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-ethylcarbamate is sourced from PubChem (CID 123862472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).