2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate

C11H12N2O3S — CID 79346478

IUPAC2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
SMILESCc1nc2ccc(NC(=O)OCCO)cc2s1
InChIInChI=1S/C11H12N2O3S/c1-7-12-9-3-2-8(6-10(9)17-7)13-11(15)16-5-4-14/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyOGDTVFCXPCWYGE-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.15
Rot. Bonds3

About 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate

2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate (PubChem CID 79346478) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
PubChem CID79346478
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
SMILESCc1nc2ccc(NC(=O)OCCO)cc2s1
InChIInChI=1S/C11H12N2O3S/c1-7-12-9-3-2-8(6-10(9)17-7)13-11(15)16-5-4-14/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyOGDTVFCXPCWYGE-UHFFFAOYSA-N
XLogP2.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 111431159
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 79796818
2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride
CID 119677119
2-(1-aminocyclopentyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64685410

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate (CID 79346478) is 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate is Cc1nc2ccc(NC(=O)OCCO)cc2s1.
What is the InChIKey of 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate?
The InChIKey is OGDTVFCXPCWYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-7-12-9-3-2-8(6-10(9)17-7)13-11(15)16-5-4-14/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate?
2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate has a molecular weight of 252.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate is sourced from PubChem (CID 79346478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).