4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile

C10H17N5S2 — CID 63737495

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile
SMILESCNC(C)(C#N)CCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H17N5S2/c1-10(7-11,12-2)5-6-16-9-14-13-8(17-9)15(3)4/h12H,5-6H2,1-4H3
InChIKeyLUGBCXGNJUJGGX-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.59
Rot. Bonds6

About 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile (PubChem CID 63737495) has the molecular formula C10H17N5S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile
PubChem CID63737495
Molecular FormulaC10H17N5S2
Molecular Weight271.41 g/mol
Exact Mass271.09
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile
SMILESCNC(C)(C#N)CCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H17N5S2/c1-10(7-11,12-2)5-6-16-9-14-13-8(17-9)15(3)4/h12H,5-6H2,1-4H3
InChIKeyLUGBCXGNJUJGGX-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 ≤ 500271.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-2-ol
CID 79165700
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)hexanoic acid
CID 63739261
methyl 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentanoate
CID 63736986
ethyl 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentanoate
CID 63739260
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethylhexanoic acid
CID 106714499
methyl 2-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylhexanoate
CID 63737323
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805668
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
CID 64806496
5-(5-chloropentylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738508
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile
CID 63736625
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 63737450
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexanamide
CID 63738554

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile (CID 63737495) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile is CNC(C)(C#N)CCSc1nnc(N(C)C)s1.
What is the InChIKey of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile?
The InChIKey is LUGBCXGNJUJGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S2/c1-10(7-11,12-2)5-6-16-9-14-13-8(17-9)15(3)4/h12H,5-6H2,1-4H3.
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile has a molecular weight of 271.41 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 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)butanenitrile is sourced from PubChem (CID 63737495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).