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

C10H17N5S2 — CID 63736625

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H17N5S2/c1-7(2)12-8(5-11)6-16-10-14-13-9(17-10)15(3)4/h7-8,12H,6H2,1-4H3
InChIKeyCWVRLUQJISBVAU-UHFFFAOYSA-N
MW271.42 g/mol
LogP1.59
Rot. Bonds6

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

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile (PubChem CID 63736625) has the molecular formula C10H17N5S2 and a molecular weight of 271.42 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile
PubChem CID63736625
Molecular FormulaC10H17N5S2
Molecular Weight271.42 g/mol
Exact Mass271.09
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H17N5S2/c1-7(2)12-8(5-11)6-16-10-14-13-9(17-10)15(3)4/h7-8,12H,6H2,1-4H3
InChIKeyCWVRLUQJISBVAU-UHFFFAOYSA-N
XLogP1.59
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile (CID 63736625) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)CSc1nnc(N(C)C)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is CWVRLUQJISBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S2/c1-7(2)12-8(5-11)6-16-10-14-13-9(17-10)15(3)4/h7-8,12H,6H2,1-4H3.
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 271.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63736625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).