2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol

C12H21N3OS2 — CID 75370486

IUPAC2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol
SMILESCSc1nnc(CN(CCO)C2CCCCC2)s1
InChIInChI=1S/C12H21N3OS2/c1-17-12-14-13-11(18-12)9-15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-9H2,1H3
InChIKeyRDNARMAZWPVZFM-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.39
Rot. Bonds6

About 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol

2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol (PubChem CID 75370486) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol
PubChem CID75370486
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC Name2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol
SMILESCSc1nnc(CN(CCO)C2CCCCC2)s1
InChIInChI=1S/C12H21N3OS2/c1-17-12-14-13-11(18-12)9-15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-9H2,1H3
InChIKeyRDNARMAZWPVZFM-UHFFFAOYSA-N
XLogP2.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol (CID 75370486) is 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol is CSc1nnc(CN(CCO)C2CCCCC2)s1.
What is the InChIKey of 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol?
The InChIKey is RDNARMAZWPVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS2/c1-17-12-14-13-11(18-12)9-15(7-8-16)10-5-3-2-4-6-10/h10,16H,2-9H2,1H3.
What are the key properties of 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol?
2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol has a molecular weight of 287.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 75370486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).