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

C12H15N3O2S — CID 111431159

IUPAC1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)N(C)CCO)cc2s1
InChIInChI=1S/C12H15N3O2S/c1-8-13-10-4-3-9(7-11(10)18-8)14-12(17)15(2)5-6-16/h3-4,7,16H,5-6H2,1-2H3,(H,14,17)
InChIKeyNVRQRXOMBLJQAH-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.06
Rot. Bonds3

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

1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea (PubChem CID 111431159) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea
PubChem CID111431159
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)N(C)CCO)cc2s1
InChIInChI=1S/C12H15N3O2S/c1-8-13-10-4-3-9(7-11(10)18-8)14-12(17)15(2)5-6-16/h3-4,7,16H,5-6H2,1-2H3,(H,14,17)
InChIKeyNVRQRXOMBLJQAH-UHFFFAOYSA-N
XLogP2.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
CID 79346478
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
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-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 111113023
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
1-cyclopropyl-3-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophen-2-ylmethyl)urea
CID 71895963

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea (CID 111431159) is 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea is Cc1nc2ccc(NC(=O)N(C)CCO)cc2s1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The InChIKey is NVRQRXOMBLJQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-13-10-4-3-9(7-11(10)18-8)14-12(17)15(2)5-6-16/h3-4,7,16H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea has a molecular weight of 265.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 111431159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).