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

C12H12BrFN4O2S — CID 120989314

IUPAC2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1
InChIInChI=1S/C12H12BrFN4O2S/c1-20-5-9(15)10(19)16-12-18-17-11(21-12)7-4-6(13)2-3-8(7)14/h2-4,9H,5,15H2,1H3,(H,16,18,19)
InChIKeyLUCBHPWUWONSRI-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.02
Rot. Bonds5

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

2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide (PubChem CID 120989314) has the molecular formula C12H12BrFN4O2S and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
PubChem CID120989314
Molecular FormulaC12H12BrFN4O2S
Molecular Weight375.22 g/mol
Exact Mass373.98
IUPAC Name2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1
InChIInChI=1S/C12H12BrFN4O2S/c1-20-5-9(15)10(19)16-12-18-17-11(21-12)7-4-6(13)2-3-8(7)14/h2-4,9H,5,15H2,1H3,(H,16,18,19)
InChIKeyLUCBHPWUWONSRI-UHFFFAOYSA-N
XLogP2.02
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120987607
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120984843
2-amino-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120984842
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 79742623
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-3-methoxypropanamide
CID 81083240
2-amino-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120987384
2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 120989341
2-amino-N-(2-bromo-4,6-difluorophenyl)-3-methoxypropanamide
CID 81081448
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120986644

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide (CID 120989314) is 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide is COCC(N)C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1.
What is the InChIKey of 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
The InChIKey is LUCBHPWUWONSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O2S/c1-20-5-9(15)10(19)16-12-18-17-11(21-12)7-4-6(13)2-3-8(7)14/h2-4,9H,5,15H2,1H3,(H,16,18,19).
What are the key properties of 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide?
2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide has a molecular weight of 375.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 120989314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).