1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol

C12H15N3OS — CID 102100087

IUPAC1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
SMILESCc1ccc(Nc2nc(CC(C)O)ns2)cc1
InChIInChI=1S/C12H15N3OS/c1-8-3-5-10(6-4-8)13-12-14-11(15-17-12)7-9(2)16/h3-6,9,16H,7H2,1-2H3,(H,13,14,15)
InChIKeyMZZNUGPMZFBTCJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.51
Rot. Bonds4

About 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol

1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol (PubChem CID 102100087) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
PubChem CID102100087
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
SMILESCc1ccc(Nc2nc(CC(C)O)ns2)cc1
InChIInChI=1S/C12H15N3OS/c1-8-3-5-10(6-4-8)13-12-14-11(15-17-12)7-9(2)16/h3-6,9,16H,7H2,1-2H3,(H,13,14,15)
InChIKeyMZZNUGPMZFBTCJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The IUPAC name of 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol (CID 102100087) is 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The canonical SMILES for 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol is Cc1ccc(Nc2nc(CC(C)O)ns2)cc1.
What is the InChIKey of 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
The InChIKey is MZZNUGPMZFBTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-3-5-10(6-4-8)13-12-14-11(15-17-12)7-9(2)16/h3-6,9,16H,7H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol?
1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol has a molecular weight of 249.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol is sourced from PubChem (CID 102100087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).