2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate

C8H12N2O3S — CID 79349772

IUPAC2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
SMILESCN(Cc1cscn1)C(=O)OCCO
InChIInChI=1S/C8H12N2O3S/c1-10(8(12)13-3-2-11)4-7-5-14-6-9-7/h5-6,11H,2-4H2,1H3
InChIKeyHSEXNVATNXPHIL-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.70
Rot. Bonds4

About 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate

2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate (PubChem CID 79349772) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
PubChem CID79349772
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
SMILESCN(Cc1cscn1)C(=O)OCCO
InChIInChI=1S/C8H12N2O3S/c1-10(8(12)13-3-2-11)4-7-5-14-6-9-7/h5-6,11H,2-4H2,1H3
InChIKeyHSEXNVATNXPHIL-UHFFFAOYSA-N
XLogP0.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81089891
2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182
3-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-oxobutanoic acid
CID 64896543
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate (CID 79349772) is 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate is CN(Cc1cscn1)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate?
The InChIKey is HSEXNVATNXPHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-10(8(12)13-3-2-11)4-7-5-14-6-9-7/h5-6,11H,2-4H2,1H3.
What are the key properties of 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate?
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate has a molecular weight of 216.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate is sourced from PubChem (CID 79349772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).