3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C10H10BrN3OS2 — CID 47233955

IUPAC3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2sccc2Br)s1
InChIInChI=1S/C10H10BrN3OS2/c1-5(2)9-13-14-10(17-9)12-8(15)7-6(11)3-4-16-7/h3-5H,1-2H3,(H,12,14,15)
InChIKeyNCLOUNVKJMQFBW-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.74
Rot. Bonds3

About 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 47233955) has the molecular formula C10H10BrN3OS2 and a molecular weight of 332.25 g/mol. Its IUPAC name is 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID47233955
Molecular FormulaC10H10BrN3OS2
Molecular Weight332.25 g/mol
Exact Mass330.94
IUPAC Name3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2sccc2Br)s1
InChIInChI=1S/C10H10BrN3OS2/c1-5(2)9-13-14-10(17-9)12-8(15)7-6(11)3-4-16-7/h3-5H,1-2H3,(H,12,14,15)
InChIKeyNCLOUNVKJMQFBW-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
CID 79513810
3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 166205739
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47443739
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181
3-bromo-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophene-2-carboxamide
CID 114094705
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
4-N-tert-butyl-1-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 48851135
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
CID 131043350

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 47233955) is 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CC(C)c1nnc(NC(=O)c2sccc2Br)s1.
What is the InChIKey of 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is NCLOUNVKJMQFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS2/c1-5(2)9-13-14-10(17-9)12-8(15)7-6(11)3-4-16-7/h3-5H,1-2H3,(H,12,14,15).
What are the key properties of 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 332.25 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47233955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).