2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide

C15H11Cl2N5OS — CID 509432

IUPAC2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCc2cccnc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2N5OS/c16-10-4-1-5-11(17)12(10)13(23)20-15-22-21-14(24-15)19-8-9-3-2-6-18-7-9/h1-7H,8H2,(H,19,21)(H,20,22,23)
InChIKeyJZIUVGDJGBYTJK-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.10
Rot. Bonds5

About 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide

2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509432) has the molecular formula C15H11Cl2N5OS and a molecular weight of 380.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509432
Molecular FormulaC15H11Cl2N5OS
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC Name2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCc2cccnc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2N5OS/c16-10-4-1-5-11(17)12(10)13(23)20-15-22-21-14(24-15)19-8-9-3-2-6-18-7-9/h1-7H,8H2,(H,19,21)(H,20,22,23)
InChIKeyJZIUVGDJGBYTJK-UHFFFAOYSA-N
XLogP4.10
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509348
2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509374
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
2-[[5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100648223
methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80572026
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
CID 134539198
N-(2,6-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171978
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide (CID 509432) is 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCc2cccnc2)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is JZIUVGDJGBYTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5OS/c16-10-4-1-5-11(17)12(10)13(23)20-15-22-21-14(24-15)19-8-9-3-2-6-18-7-9/h1-7H,8H2,(H,19,21)(H,20,22,23).
What are the key properties of 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 380.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-(pyridin-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).