5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

C11H11BrN4OS — CID 80617538

IUPAC5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1nnc(N)s1
InChIInChI=1S/C11H11BrN4OS/c1-16(6-7-2-4-8(12)5-3-7)10(17)9-14-15-11(13)18-9/h2-5H,6H2,1H3,(H2,13,15)
InChIKeyDIKGGDDADSQBNA-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.15
Rot. Bonds3

About 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617538) has the molecular formula C11H11BrN4OS and a molecular weight of 327.21 g/mol. Its IUPAC name is 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617538
Molecular FormulaC11H11BrN4OS
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1nnc(N)s1
InChIInChI=1S/C11H11BrN4OS/c1-16(6-7-2-4-8(12)5-3-7)10(17)9-14-15-11(13)18-9/h2-5H,6H2,1H3,(H2,13,15)
InChIKeyDIKGGDDADSQBNA-UHFFFAOYSA-N
XLogP2.15
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616317
N-[(4-bromophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618727
4-amino-N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663147
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 47096995
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076563
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732660

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80617538) is 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DIKGGDDADSQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS/c1-16(6-7-2-4-8(12)5-3-7)10(17)9-14-15-11(13)18-9/h2-5H,6H2,1H3,(H2,13,15).
What are the key properties of 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 327.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).