N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C10H16N4O2S2 — CID 46803104

IUPACN-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)C(C)Sc1nncs1
InChIInChI=1S/C10H16N4O2S2/c1-6(2)4-11-9(16)13-8(15)7(3)18-10-14-12-5-17-10/h5-7H,4H2,1-3H3,(H2,11,13,15,16)
InChIKeyHQJJZVIVEVRGDY-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.50
Rot. Bonds5

About N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 46803104) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID46803104
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC NameN-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)C(C)Sc1nncs1
InChIInChI=1S/C10H16N4O2S2/c1-6(2)4-11-9(16)13-8(15)7(3)18-10-14-12-5-17-10/h5-7H,4H2,1-3H3,(H2,11,13,15,16)
InChIKeyHQJJZVIVEVRGDY-UHFFFAOYSA-N
XLogP1.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 33227309
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
(2S)-N-(cyclobutylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94193477
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
N-(oxolan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 18078012
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
N-(3-methylbutylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532159
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 29440220
(2S)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 98309879

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 46803104) is N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CC(C)CNC(=O)NC(=O)C(C)Sc1nncs1.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is HQJJZVIVEVRGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-6(2)4-11-9(16)13-8(15)7(3)18-10-14-12-5-17-10/h5-7H,4H2,1-3H3,(H2,11,13,15,16).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 288.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 46803104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).