1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol

C10H19N3O2S — CID 115904997

IUPAC1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol
SMILESCC(C)COCC(O)CNCc1csnn1
InChIInChI=1S/C10H19N3O2S/c1-8(2)5-15-6-10(14)4-11-3-9-7-16-13-12-9/h7-8,10-11,14H,3-6H2,1-2H3
InChIKeyMKVBFVRYQVEZTB-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.66
Rot. Bonds8

About 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol

1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol (PubChem CID 115904997) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol
PubChem CID115904997
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol
SMILESCC(C)COCC(O)CNCc1csnn1
InChIInChI=1S/C10H19N3O2S/c1-8(2)5-15-6-10(14)4-11-3-9-7-16-13-12-9/h7-8,10-11,14H,3-6H2,1-2H3
InChIKeyMKVBFVRYQVEZTB-UHFFFAOYSA-N
XLogP0.66
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60744071
1-cyclopentyl-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907469
1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907720
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 109479903
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 115907644
(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 93257833
(2R)-1-(2-methylpropoxy)-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
CID 97016063

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol (CID 115904997) is 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol is CC(C)COCC(O)CNCc1csnn1.
What is the InChIKey of 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
The InChIKey is MKVBFVRYQVEZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)5-15-6-10(14)4-11-3-9-7-16-13-12-9/h7-8,10-11,14H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol has a molecular weight of 245.35 g/mol, XLogP of 0.66, 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-(thiadiazol-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 115904997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).