1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol

C9H17N3OS — CID 115882819

IUPAC1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1csnn1)C(C)C
InChIInChI=1S/C9H17N3OS/c1-7(2)12(4-8(3)13)5-9-6-14-11-10-9/h6-8,13H,4-5H2,1-3H3
InChIKeyIENCBQHMFOTBGR-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.13
Rot. Bonds5

About 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol

1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol (PubChem CID 115882819) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol
PubChem CID115882819
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1csnn1)C(C)C
InChIInChI=1S/C9H17N3OS/c1-7(2)12(4-8(3)13)5-9-6-14-11-10-9/h6-8,13H,4-5H2,1-3H3
InChIKeyIENCBQHMFOTBGR-UHFFFAOYSA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 75500011
2,5,5-Trimethyl-4-(thiadiazol-4-ylmethyl)morpholine
CID 75506962
2-[Hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol
CID 155019210
2-(Thiadiazol-4-ylmethylamino)butan-1-ol
CID 43664074
2-(Thiadiazol-4-ylmethylamino)ethanol
CID 43664113
1-(Thiadiazol-4-ylmethylamino)propan-2-ol
CID 43664143
2-(Thiadiazol-4-ylmethylamino)propan-1-ol
CID 43664144
(2S)-1-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 93257859
(2R)-1-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 93257860
(2R)-2-(thiadiazol-4-ylmethylamino)propan-1-ol
CID 93257862
(2R)-2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine
CID 97832225
(2S)-2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine
CID 97832227

Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol (CID 115882819) is 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol is CC(O)CN(Cc1csnn1)C(C)C.
What is the InChIKey of 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol?
The InChIKey is IENCBQHMFOTBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(2)12(4-8(3)13)5-9-6-14-11-10-9/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol?
1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl(thiadiazol-4-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 115882819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).