1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea

C16H19N5OS — CID 118777639

IUPAC1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCCc1nccn1CCNC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H19N5OS/c1-3-15-17-6-8-21(15)9-7-18-16(22)20-12-4-5-13-14(10-12)23-11(2)19-13/h4-6,8,10H,3,7,9H2,1-2H3,(H2,18,20,22)
InChIKeyRTNWGTSKWWLJGV-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea

1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea (PubChem CID 118777639) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
PubChem CID118777639
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCCc1nccn1CCNC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H19N5OS/c1-3-15-17-6-8-21(15)9-7-18-16(22)20-12-4-5-13-14(10-12)23-11(2)19-13/h4-6,8,10H,3,7,9H2,1-2H3,(H2,18,20,22)
InChIKeyRTNWGTSKWWLJGV-UHFFFAOYSA-N
XLogP3.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide
CID 118782102
1-(2-methyl-1,3-benzothiazol-6-yl)-3-[2-(3-methylbutoxy)ethyl]urea
CID 86856044
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 72924769
N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 46964217
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 111113023
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 47032475
1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 74239820
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea (CID 118777639) is 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea is CCc1nccn1CCNC(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The InChIKey is RTNWGTSKWWLJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-3-15-17-6-8-21(15)9-7-18-16(22)20-12-4-5-13-14(10-12)23-11(2)19-13/h4-6,8,10H,3,7,9H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea has a molecular weight of 329.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylimidazol-1-yl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 118777639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).