1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea

C18H17N3O2S — CID 75920789

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NC3c4ccccc4CC3O)cc2s1
InChIInChI=1S/C18H17N3O2S/c1-10-19-14-7-6-12(9-16(14)24-10)20-18(23)21-17-13-5-3-2-4-11(13)8-15(17)22/h2-7,9,15,17,22H,8H2,1H3,(H2,20,21,23)
InChIKeyWZIVXDIKRJNQTA-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.38
Rot. Bonds2

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea (PubChem CID 75920789) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
PubChem CID75920789
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NC3c4ccccc4CC3O)cc2s1
InChIInChI=1S/C18H17N3O2S/c1-10-19-14-7-6-12(9-16(14)24-10)20-18(23)21-17-13-5-3-2-4-11(13)8-15(17)22/h2-7,9,15,17,22H,8H2,1H3,(H2,20,21,23)
InChIKeyWZIVXDIKRJNQTA-UHFFFAOYSA-N
XLogP3.38
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111475405
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea
CID 136532845
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 129370179
1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907999
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60591170
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453
tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 25070782
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea (CID 75920789) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea is Cc1nc2ccc(NC(=O)NC3c4ccccc4CC3O)cc2s1.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
The InChIKey is WZIVXDIKRJNQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-19-14-7-6-12(9-16(14)24-10)20-18(23)21-17-13-5-3-2-4-11(13)8-15(17)22/h2-7,9,15,17,22H,8H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea has a molecular weight of 339.42 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 75920789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).