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

C11H13N3OS — CID 71855218

IUPAC[5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol
SMILESCc1ccccc1CNc1nnc(CO)s1
InChIInChI=1S/C11H13N3OS/c1-8-4-2-3-5-9(8)6-12-11-14-13-10(7-15)16-11/h2-5,15H,6-7H2,1H3,(H,12,14)
InChIKeyMKYVTCIZNJCVIM-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.95
Rot. Bonds4

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

[5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 71855218) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol
PubChem CID71855218
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol
SMILESCc1ccccc1CNc1nnc(CO)s1
InChIInChI=1S/C11H13N3OS/c1-8-4-2-3-5-9(8)6-12-11-14-13-10(7-15)16-11/h2-5,15H,6-7H2,1H3,(H,12,14)
InChIKeyMKYVTCIZNJCVIM-UHFFFAOYSA-N
XLogP1.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol (CID 71855218) is [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol is Cc1ccccc1CNc1nnc(CO)s1.
What is the InChIKey of [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is MKYVTCIZNJCVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-4-2-3-5-9(8)6-12-11-14-13-10(7-15)16-11/h2-5,15H,6-7H2,1H3,(H,12,14).
What are the key properties of [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol?
[5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 235.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 71855218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).