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

C12H23N3O2S — CID 71850420

IUPAC1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
SMILESCC(C)COCC(O)CNc1nnc(C(C)C)s1
InChIInChI=1S/C12H23N3O2S/c1-8(2)6-17-7-10(16)5-13-12-15-14-11(18-12)9(3)4/h8-10,16H,5-7H2,1-4H3,(H,13,15)
InChIKeyCLDCJOOPQUABNQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.11
Rot. Bonds8

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

1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol (PubChem CID 71850420) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
PubChem CID71850420
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
SMILESCC(C)COCC(O)CNc1nnc(C(C)C)s1
InChIInChI=1S/C12H23N3O2S/c1-8(2)6-17-7-10(16)5-13-12-15-14-11(18-12)9(3)4/h8-10,16H,5-7H2,1-4H3,(H,13,15)
InChIKeyCLDCJOOPQUABNQ-UHFFFAOYSA-N
XLogP2.11
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-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

(2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
CID 97016063
1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904997
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
CID 60897902
(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
CID 130619298
1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 113250573
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
1-(2-methylbutan-2-ylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60903847
1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol
CID 56684752
1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 102905545

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol (CID 71850420) is 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol is CC(C)COCC(O)CNc1nnc(C(C)C)s1.
What is the InChIKey of 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The InChIKey is CLDCJOOPQUABNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-8(2)6-17-7-10(16)5-13-12-15-14-11(18-12)9(3)4/h8-10,16H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol has a molecular weight of 273.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 71850420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).