(2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide

C6H9BrN4OS — CID 130634402

IUPAC(2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)Nc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c1-3(4(12)8-2)9-6-11-10-5(7)13-6/h3H,1-2H3,(H,8,12)(H,9,11)/t3-/m0/s1
InChIKeySWXLLJKUPIBTSK-VKHMYHEASA-N
MW265.14 g/mol
LogP0.85
Rot. Bonds3

About (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide

(2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide (PubChem CID 130634402) has the molecular formula C6H9BrN4OS and a molecular weight of 265.14 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
PubChem CID130634402
Molecular FormulaC6H9BrN4OS
Molecular Weight265.14 g/mol
Exact Mass263.97
IUPAC Name(2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)Nc1nnc(Br)s1
InChIInChI=1S/C6H9BrN4OS/c1-3(4(12)8-2)9-6-11-10-5(7)13-6/h3H,1-2H3,(H,8,12)(H,9,11)/t3-/m0/s1
InChIKeySWXLLJKUPIBTSK-VKHMYHEASA-N
XLogP0.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 115898996
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide
CID 64624512
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanamide
CID 61467738
5-bromo-N-butan-2-yl-1,3,4-thiadiazol-2-amine
CID 64623041
(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid
CID 69158833
N-methyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126367
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
CID 115749975
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide
CID 43116694
2-(chloroamino)-N-methylpropanamide
CID 19827989
5-bromo-N-[1-(4-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624917
2-(4-bromo-2,6-difluoroanilino)-N-methylpropanamide
CID 65468033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide (CID 130634402) is (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide is CNC(=O)[C@H](C)Nc1nnc(Br)s1.
What is the InChIKey of (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide?
The InChIKey is SWXLLJKUPIBTSK-VKHMYHEASA-N. The full InChI is InChI=1S/C6H9BrN4OS/c1-3(4(12)8-2)9-6-11-10-5(7)13-6/h3H,1-2H3,(H,8,12)(H,9,11)/t3-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide?
(2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide has a molecular weight of 265.14 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 130634402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).