5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

C11H11BrN4O2S2 — CID 47276155

IUPAC5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)s1
InChIInChI=1S/C11H11BrN4O2S2/c1-6-14-15-11(19-6)13-9(17)5-16(2)10(18)7-3-4-8(12)20-7/h3-4H,5H2,1-2H3,(H,13,15,17)
InChIKeyOEZXPGVFUCXLEU-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 47276155) has the molecular formula C11H11BrN4O2S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID47276155
Molecular FormulaC11H11BrN4O2S2
Molecular Weight375.27 g/mol
Exact Mass373.95
IUPAC Name5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)s1
InChIInChI=1S/C11H11BrN4O2S2/c1-6-14-15-11(19-6)13-9(17)5-16(2)10(18)7-3-4-8(12)20-7/h3-4H,5H2,1-2H3,(H,13,15,17)
InChIKeyOEZXPGVFUCXLEU-UHFFFAOYSA-N
XLogP2.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 47278626
ethyl 2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 47061733
5-bromo-N-methyl-N-[2-oxo-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 78897648
5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55822167
5-bromo-N-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 119501024
N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55883523
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
5-bromo-N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 52671880
5-bromo-N-[2-(5-bromo-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55905137
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 119640733
5-bromo-N-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 47051943
5-bromo-N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55883535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 47276155) is 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1nnc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)s1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is OEZXPGVFUCXLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S2/c1-6-14-15-11(19-6)13-9(17)5-16(2)10(18)7-3-4-8(12)20-7/h3-4H,5H2,1-2H3,(H,13,15,17).
What are the key properties of 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47276155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).