N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide

C7H12N4OS — CID 131093296

IUPACN,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide
SMILESCNC(=O)C(C)(C)Nc1nncs1
InChIInChI=1S/C7H12N4OS/c1-7(2,5(12)8-3)10-6-11-9-4-13-6/h4H,1-3H3,(H,8,12)(H,10,11)
InChIKeyHLNMCHVFPDDEHV-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.47
Rot. Bonds3

About N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide

N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide (PubChem CID 131093296) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide
PubChem CID131093296
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide
SMILESCNC(=O)C(C)(C)Nc1nncs1
InChIInChI=1S/C7H12N4OS/c1-7(2,5(12)8-3)10-6-11-9-4-13-6/h4H,1-3H3,(H,8,12)(H,10,11)
InChIKeyHLNMCHVFPDDEHV-UHFFFAOYSA-N
XLogP0.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide?
The IUPAC name of N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide (CID 131093296) is N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide.
What is the SMILES notation for N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide?
The canonical SMILES for N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide is CNC(=O)C(C)(C)Nc1nncs1.
What is the InChIKey of N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide?
The InChIKey is HLNMCHVFPDDEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-7(2,5(12)8-3)10-6-11-9-4-13-6/h4H,1-3H3,(H,8,12)(H,10,11).
What are the key properties of N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide?
N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide has a molecular weight of 200.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide is sourced from PubChem (CID 131093296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).