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

C7H13N3OS — CID 65273394

IUPAC1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(N(C)CC(C)O)n1
InChIInChI=1S/C7H13N3OS/c1-5(11)4-10(3)7-8-6(2)9-12-7/h5,11H,4H2,1-3H3
InChIKeyJGKPSUXSWNRCKK-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.66
Rot. Bonds3

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

1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65273394) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65273394
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(N(C)CC(C)O)n1
InChIInChI=1S/C7H13N3OS/c1-5(11)4-10(3)7-8-6(2)9-12-7/h5,11H,4H2,1-3H3
InChIKeyJGKPSUXSWNRCKK-UHFFFAOYSA-N
XLogP0.66
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673242
1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97009069
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305667
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
1-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305690
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
CID 107305697

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65273394) is 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is Cc1nsc(N(C)CC(C)O)n1.
What is the InChIKey of 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is JGKPSUXSWNRCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(11)4-10(3)7-8-6(2)9-12-7/h5,11H,4H2,1-3H3.
What are the key properties of 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 187.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65273394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).