2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide

C7H12N4OS — CID 79196071

IUPAC2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCNCC(C)C(=O)Nc1nncs1
InChIInChI=1S/C7H12N4OS/c1-5(3-8-2)6(12)10-7-11-9-4-13-7/h4-5,8H,3H2,1-2H3,(H,10,11,12)
InChIKeyJCZZQBVEHKHIRV-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.33
Rot. Bonds4

About 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide

2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 79196071) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID79196071
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCNCC(C)C(=O)Nc1nncs1
InChIInChI=1S/C7H12N4OS/c1-5(3-8-2)6(12)10-7-11-9-4-13-7/h4-5,8H,3H2,1-2H3,(H,10,11,12)
InChIKeyJCZZQBVEHKHIRV-UHFFFAOYSA-N
XLogP0.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 13145508
(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 51726125
2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
CID 3580525
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705899
2-methyl-3-(methylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119705214
2-methyl-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 80540120
N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119755311
3-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]butanoic acid
CID 65217758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 79196071) is 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide is CNCC(C)C(=O)Nc1nncs1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is JCZZQBVEHKHIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-5(3-8-2)6(12)10-7-11-9-4-13-7/h4-5,8H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide?
2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 200.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 79196071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).