1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea

C13H14N4O2S — CID 167920137

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1nnc(NC(=O)NC2Cc3ccccc3C2)s1
InChIInChI=1S/C13H14N4O2S/c1-19-13-17-16-12(20-13)15-11(18)14-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H2,14,15,16,18)
InChIKeyYULCBGHOOYFSCE-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea

1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea (PubChem CID 167920137) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
PubChem CID167920137
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1nnc(NC(=O)NC2Cc3ccccc3C2)s1
InChIInChI=1S/C13H14N4O2S/c1-19-13-17-16-12(20-13)15-11(18)14-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H2,14,15,16,18)
InChIKeyYULCBGHOOYFSCE-UHFFFAOYSA-N
XLogP1.84
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124738907
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107856285
1-(2,2-difluoroethyl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
CID 122131609
1-(2,3-dihydro-1H-inden-2-yl)-3-(4-phenoxyphenyl)urea
CID 23734545
1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 9350005
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617130
tert-butyl (2S)-2-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoate
CID 122131613
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
CID 154770333
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
CID 3679782
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110908027

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea (CID 167920137) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea is COc1nnc(NC(=O)NC2Cc3ccccc3C2)s1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is YULCBGHOOYFSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-19-13-17-16-12(20-13)15-11(18)14-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H2,14,15,16,18).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 290.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 167920137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).