[3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol

C15H20N4OS — CID 166258043

IUPAC[3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol
SMILESCc1ccccc1-c1nsc(N2CCCC(N)(CO)C2)n1
InChIInChI=1S/C15H20N4OS/c1-11-5-2-3-6-12(11)13-17-14(21-18-13)19-8-4-7-15(16,9-19)10-20/h2-3,5-6,20H,4,7-10,16H2,1H3
InChIKeyGCONTANSXJNIFX-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.80
Rot. Bonds3

About [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol

[3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol (PubChem CID 166258043) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol
PubChem CID166258043
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol
SMILESCc1ccccc1-c1nsc(N2CCCC(N)(CO)C2)n1
InChIInChI=1S/C15H20N4OS/c1-11-5-2-3-6-12(11)13-17-14(21-18-13)19-8-4-7-15(16,9-19)10-20/h2-3,5-6,20H,4,7-10,16H2,1H3
InChIKeyGCONTANSXJNIFX-UHFFFAOYSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol?
The IUPAC name of [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol (CID 166258043) is [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol is Cc1ccccc1-c1nsc(N2CCCC(N)(CO)C2)n1.
What is the InChIKey of [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol?
The InChIKey is GCONTANSXJNIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-5-2-3-6-12(11)13-17-14(21-18-13)19-8-4-7-15(16,9-19)10-20/h2-3,5-6,20H,4,7-10,16H2,1H3.
What are the key properties of [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol?
[3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol has a molecular weight of 304.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 166258043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).