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

C9H17N3OS2 — CID 60876943

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
SMILESCc1nnc(SCC(O)CNC(C)C)s1
InChIInChI=1S/C9H17N3OS2/c1-6(2)10-4-8(13)5-14-9-12-11-7(3)15-9/h6,8,10,13H,4-5H2,1-3H3
InChIKeyGXSKYIQAYCHBOC-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.30
Rot. Bonds6

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

1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 60876943) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
PubChem CID60876943
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
SMILESCc1nnc(SCC(O)CNC(C)C)s1
InChIInChI=1S/C9H17N3OS2/c1-6(2)10-4-8(13)5-14-9-12-11-7(3)15-9/h6,8,10,13H,4-5H2,1-3H3
InChIKeyGXSKYIQAYCHBOC-UHFFFAOYSA-N
XLogP1.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxypropyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 4081812
N-[(2R)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40553871
N-[(2S)-2-hydroxypropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40553872
1-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166401
1-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876761
1-(Methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876762
1-(Cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876763
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propylamino)propan-2-ol
CID 60876944
1-(Ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876945
N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 62576397
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62577597
1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
CID 62578680

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol (CID 60876943) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol is Cc1nnc(SCC(O)CNC(C)C)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is GXSKYIQAYCHBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-6(2)10-4-8(13)5-14-9-12-11-7(3)15-9/h6,8,10,13H,4-5H2,1-3H3.
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 247.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60876943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).