4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide

C9H5BrClN3OS — CID 80973968

IUPAC4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H5BrClN3OS/c10-6-2-1-5(3-7(6)11)8(15)13-9-14-12-4-16-9/h1-4H,(H,13,14,15)
InChIKeyDNWRJEDERJYBMX-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.21
Rot. Bonds2

About 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide

4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 80973968) has the molecular formula C9H5BrClN3OS and a molecular weight of 318.58 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID80973968
Molecular FormulaC9H5BrClN3OS
Molecular Weight318.58 g/mol
Exact Mass316.90
IUPAC Name4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H5BrClN3OS/c10-6-2-1-5(3-7(6)11)8(15)13-9-14-12-4-16-9/h1-4H,(H,13,14,15)
InChIKeyDNWRJEDERJYBMX-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
CID 81306935
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
4-(3-aminoprop-1-ynyl)-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 81295846
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 81307785
3-chloro-4,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 46525451
3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55103700
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6469162

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 80973968) is 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DNWRJEDERJYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3OS/c10-6-2-1-5(3-7(6)11)8(15)13-9-14-12-4-16-9/h1-4H,(H,13,14,15).
What are the key properties of 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 318.58 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 80973968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).