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

C15H11Cl2N5OS — CID 509929

IUPAC2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCc2ccccn2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2N5OS/c16-10-5-3-6-11(17)12(10)13(23)20-15-22-21-14(24-15)19-8-9-4-1-2-7-18-9/h1-7H,8H2,(H,19,21)(H,20,22,23)
InChIKeyZDXHIFWBXJSSIO-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.10
Rot. Bonds5

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

2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509929) has the molecular formula C15H11Cl2N5OS and a molecular weight of 380.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509929
Molecular FormulaC15H11Cl2N5OS
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC Name2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCc2ccccn2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2N5OS/c16-10-5-3-6-11(17)12(10)13(23)20-15-22-21-14(24-15)19-8-9-4-1-2-7-18-9/h1-7H,8H2,(H,19,21)(H,20,22,23)
InChIKeyZDXHIFWBXJSSIO-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

US9687479, 395 N-benzyl-1-[(2-chlorophenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
CID 71544427
2-chloro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 4343611
N-[5-(4-Chloro-benzyl)-[1,3,4]thiadiazol-2-yl]-isonicotinamide
CID 750496
N-[(2-Chlorophenyl)methyl]-1-[5-(piperidin-1-YL)-1,3,4-thiadiazol-2-YL]-1H-pyrrole-2-carboxamide
CID 16025220
2-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 72206416
2,4-dichloro-N-ethyl-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1078944
3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1313237
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 2102405
2,6-dichloro-N-[5-(4-pyridylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509359
2,6-dichloro-N-[5-[2-(1H-imidazol-4-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509374
2,6-dichloro-N-[5-(3-pyridylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509432
4-iodo-N-[5-(4-pyridylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509756

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide (CID 509929) is 2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCc2ccccn2)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is ZDXHIFWBXJSSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5OS/c16-10-5-3-6-11(17)12(10)13(23)20-15-22-21-14(24-15)19-8-9-4-1-2-7-18-9/h1-7H,8H2,(H,19,21)(H,20,22,23).
What are the key properties of 2,6-dichloro-N-[5-(pyridin-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-(pyridin-2-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-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).