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

C12H23N3O2S — CID 97016063

IUPAC(2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
SMILESCC(C)COC[C@H](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)/t10-/m1/s1
InChIKeyCLDCJOOPQUABNQ-SNVBAGLBSA-N
MW273.40 g/mol
LogP2.11
Rot. Bonds8

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

(2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol (PubChem CID 97016063) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
PubChem CID97016063
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name(2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
SMILESCC(C)COC[C@H](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)/t10-/m1/s1
InChIKeyCLDCJOOPQUABNQ-SNVBAGLBSA-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 (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(2-Methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
CID 71850420
(2S)-1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
CID 97075929
1-Methoxy-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 114448575
2-[(5-Propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 121286949
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 60480816
1-Methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
CID 64982715
N-(1,4-dioxan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982879
2-[2-[(5-Methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
CID 65209385
2-Methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propane-1,2-diol
CID 66170770
3-[(5-Methyl-1,3,4-thiadiazol-2-yl)amino]propane-1,2-diol
CID 66175218
1-[(5-Tert-butyl-1,3,4-thiadiazol-2-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
CID 71918026
1-Methoxy-3-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80607036

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol (CID 97016063) is (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol is CC(C)COC[C@H](O)CNc1nnc(C(C)C)s1.
What is the InChIKey of (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
The InChIKey is CLDCJOOPQUABNQ-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol?
(2R)-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 (2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 97016063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).