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

C7H13N3OS3 — CID 115383080

IUPAC1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCNCC(O)CSc1nnc(SC)s1
InChIInChI=1S/C7H13N3OS3/c1-8-3-5(11)4-13-7-10-9-6(12-2)14-7/h5,8,11H,3-4H2,1-2H3
InChIKeyWNEDHBMJFCMJKM-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.93
Rot. Bonds6

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

1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 115383080) has the molecular formula C7H13N3OS3 and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID115383080
Molecular FormulaC7H13N3OS3
Molecular Weight251.40 g/mol
Exact Mass251.02
IUPAC Name1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCNCC(O)CSc1nnc(SC)s1
InChIInChI=1S/C7H13N3OS3/c1-8-3-5(11)4-13-7-10-9-6(12-2)14-7/h5,8,11H,3-4H2,1-2H3
InChIKeyWNEDHBMJFCMJKM-UHFFFAOYSA-N
XLogP0.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166401
1-(Propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166402
1-(Ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166403
1-(Methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43188141
1-(Methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876762
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
2-(Methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805590
2-(Methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806830
4-[(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
CID 113298934
1-(2-Methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 113317903
1-(2-Methoxyethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 113317904

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 115383080) is 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is CNCC(O)CSc1nnc(SC)s1.
What is the InChIKey of 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is WNEDHBMJFCMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS3/c1-8-3-5(11)4-13-7-10-9-6(12-2)14-7/h5,8,11H,3-4H2,1-2H3.
What are the key properties of 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 251.40 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 115383080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).