1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C14H17N3O2S — CID 107852038

IUPAC1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNC1Cc2ccccc2C1)COc1cnsn1
InChIInChI=1S/C14H17N3O2S/c18-13(9-19-14-8-16-20-17-14)7-15-12-5-10-3-1-2-4-11(10)6-12/h1-4,8,12-13,15,18H,5-7,9H2
InChIKeyGSGVTUVMQNPNGW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.03
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 107852038) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID107852038
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNC1Cc2ccccc2C1)COc1cnsn1
InChIInChI=1S/C14H17N3O2S/c18-13(9-19-14-8-16-20-17-14)7-15-12-5-10-3-1-2-4-11(10)6-12/h1-4,8,12-13,15,18H,5-7,9H2
InChIKeyGSGVTUVMQNPNGW-UHFFFAOYSA-N
XLogP1.03
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol with MolForge

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Related Compounds

1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60909284
1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897023
1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83036263
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898515
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114503518

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 107852038) is 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNC1Cc2ccccc2C1)COc1cnsn1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is GSGVTUVMQNPNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13(9-19-14-8-16-20-17-14)7-15-12-5-10-3-1-2-4-11(10)6-12/h1-4,8,12-13,15,18H,5-7,9H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 291.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 107852038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).