2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide

C10H6Cl2FN3OS — CID 93205844

IUPAC2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide
SMILESO=C(Nc1nnc(CCl)s1)c1c(F)cccc1Cl
InChIInChI=1S/C10H6Cl2FN3OS/c11-4-7-15-16-10(18-7)14-9(17)8-5(12)2-1-3-6(8)13/h1-3H,4H2,(H,14,16,17)
InChIKeyRWZVRRAEETZWLP-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide

2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide (PubChem CID 93205844) has the molecular formula C10H6Cl2FN3OS and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide
PubChem CID93205844
Molecular FormulaC10H6Cl2FN3OS
Molecular Weight306.15 g/mol
Exact Mass304.96
IUPAC Name2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide
SMILESO=C(Nc1nnc(CCl)s1)c1c(F)cccc1Cl
InChIInChI=1S/C10H6Cl2FN3OS/c11-4-7-15-16-10(18-7)14-9(17)8-5(12)2-1-3-6(8)13/h1-3H,4H2,(H,14,16,17)
InChIKeyRWZVRRAEETZWLP-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
CID 113250709
2-chloro-6-fluoro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4305236
2-amino-6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 106259550
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide
CID 51152768
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
2,6-dichloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1303432
2,6-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17320202
2-chloro-6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 7948491
N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 82058091
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide (CID 93205844) is 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide is O=C(Nc1nnc(CCl)s1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide?
The InChIKey is RWZVRRAEETZWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3OS/c11-4-7-15-16-10(18-7)14-9(17)8-5(12)2-1-3-6(8)13/h1-3H,4H2,(H,14,16,17).
What are the key properties of 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide?
2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide has a molecular weight of 306.15 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide is sourced from PubChem (CID 93205844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).