N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide

C16H12BrN3OS — CID 108741998

IUPACN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H12BrN3OS/c1-20(15(21)12-5-3-2-4-6-12)16-19-18-14(22-16)11-7-9-13(17)10-8-11/h2-10H,1H3
InChIKeyFHAKDEZBYPTSLM-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.24
Rot. Bonds3

About N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide (PubChem CID 108741998) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
PubChem CID108741998
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H12BrN3OS/c1-20(15(21)12-5-3-2-4-6-12)16-19-18-14(22-16)11-7-9-13(17)10-8-11/h2-10H,1H3
InChIKeyFHAKDEZBYPTSLM-UHFFFAOYSA-N
XLogP4.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108764498
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-N-methylbenzamide
CID 108764475
methyl 3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-methylcarbamoyl]benzoate
CID 108742076
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4-difluoro-N-methylbenzamide
CID 108742083
methyl 2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-methylcarbamoyl]benzoate
CID 108742051
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3,4-trifluoro-N-methylbenzamide
CID 108742002
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcyclopropanecarboxamide
CID 108741966
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 12679001
(E)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-N-methyl-3-phenylprop-2-enamide
CID 108764535
4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 43811421
N-[2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-methylamino]-2-oxoethyl]-4-chlorobenzamide
CID 108764499
butyl N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylcarbamate
CID 108742018

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide (CID 108741998) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1nnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide?
The InChIKey is FHAKDEZBYPTSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c1-20(15(21)12-5-3-2-4-6-12)16-19-18-14(22-16)11-7-9-13(17)10-8-11/h2-10H,1H3.
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide?
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide has a molecular weight of 374.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 108741998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).