N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide

C15H8BrN3OS2 — CID 9050215

IUPACN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1
InChIInChI=1S/C15H8BrN3OS2/c16-13-5-4-12(22-13)11-8-21-15(18-11)19-14(20)10-3-1-2-9(6-10)7-17/h1-6,8H,(H,18,19,20)
InChIKeyNJTLWEFUXJCNDX-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.76
Rot. Bonds3

About N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide (PubChem CID 9050215) has the molecular formula C15H8BrN3OS2 and a molecular weight of 390.29 g/mol. Its IUPAC name is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
PubChem CID9050215
Molecular FormulaC15H8BrN3OS2
Molecular Weight390.29 g/mol
Exact Mass388.93
IUPAC NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1
InChIInChI=1S/C15H8BrN3OS2/c16-13-5-4-12(22-13)11-8-21-15(18-11)19-14(20)10-3-1-2-9(6-10)7-17/h1-6,8H,(H,18,19,20)
InChIKeyNJTLWEFUXJCNDX-UHFFFAOYSA-N
XLogP4.76
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3638177
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide
CID 41028551
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
CID 35847762
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
CID 79512579
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-butoxybenzamide
CID 5048299
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9094383
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide?
The IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide (CID 9050215) is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide?
The canonical SMILES for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1.
What is the InChIKey of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide?
The InChIKey is NJTLWEFUXJCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3OS2/c16-13-5-4-12(22-13)11-8-21-15(18-11)19-14(20)10-3-1-2-9(6-10)7-17/h1-6,8H,(H,18,19,20).
What are the key properties of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide?
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide has a molecular weight of 390.29 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide is sourced from PubChem (CID 9050215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).