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

C11H21N5OS2 — CID 63738028

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(CSc1nnc(N(C)C)s1)C(N)=O
InChIInChI=1S/C11H21N5OS2/c1-7(2)13-11(3,8(12)17)6-18-10-15-14-9(19-10)16(4)5/h7,13H,6H2,1-5H3,(H2,12,17)
InChIKeySARHXGSZMFTHRD-UHFFFAOYSA-N
MW303.46 g/mol
LogP0.94
Rot. Bonds7

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

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide (PubChem CID 63738028) has the molecular formula C11H21N5OS2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide
PubChem CID63738028
Molecular FormulaC11H21N5OS2
Molecular Weight303.46 g/mol
Exact Mass303.12
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(CSc1nnc(N(C)C)s1)C(N)=O
InChIInChI=1S/C11H21N5OS2/c1-7(2)13-11(3,8(12)17)6-18-10-15-14-9(19-10)16(4)5/h7,13H,6H2,1-5H3,(H2,12,17)
InChIKeySARHXGSZMFTHRD-UHFFFAOYSA-N
XLogP0.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide (CID 63738028) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(CSc1nnc(N(C)C)s1)C(N)=O.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide?
The InChIKey is SARHXGSZMFTHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS2/c1-7(2)13-11(3,8(12)17)6-18-10-15-14-9(19-10)16(4)5/h7,13H,6H2,1-5H3,(H2,12,17).
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide has a molecular weight of 303.46 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 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-methyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63738028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).