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

C8H13N3OS — CID 127001248

IUPAC[5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol
SMILESCC1(CNc2nnc(CO)s2)CC1
InChIInChI=1S/C8H13N3OS/c1-8(2-3-8)5-9-7-11-10-6(4-12)13-7/h12H,2-5H2,1H3,(H,9,11)
InChIKeyCMMPEZVJISJROC-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.24
Rot. Bonds4

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

[5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 127001248) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol
PubChem CID127001248
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name[5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol
SMILESCC1(CNc2nnc(CO)s2)CC1
InChIInChI=1S/C8H13N3OS/c1-8(2-3-8)5-9-7-11-10-6(4-12)13-7/h12H,2-5H2,1H3,(H,9,11)
InChIKeyCMMPEZVJISJROC-UHFFFAOYSA-N
XLogP1.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol (CID 127001248) is [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol is CC1(CNc2nnc(CO)s2)CC1.
What is the InChIKey of [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is CMMPEZVJISJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-8(2-3-8)5-9-7-11-10-6(4-12)13-7/h12H,2-5H2,1H3,(H,9,11).
What are the key properties of [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol?
[5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 199.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 127001248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).