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

C20H14Cl2N4OS — CID 509376

IUPAC2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCc2cccc3ccccc23)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H14Cl2N4OS/c21-15-9-4-10-16(22)17(15)18(27)24-20-26-25-19(28-20)23-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,23,25)(H,24,26,27)
InChIKeyRBWXVAPDOBUXOD-UHFFFAOYSA-N
MW429.33 g/mol
LogP5.86
Rot. Bonds5

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

2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509376) has the molecular formula C20H14Cl2N4OS and a molecular weight of 429.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509376
Molecular FormulaC20H14Cl2N4OS
Molecular Weight429.33 g/mol
Exact Mass428.03
IUPAC Name2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCc2cccc3ccccc23)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H14Cl2N4OS/c21-15-9-4-10-16(22)17(15)18(27)24-20-26-25-19(28-20)23-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,23,25)(H,24,26,27)
InChIKeyRBWXVAPDOBUXOD-UHFFFAOYSA-N
XLogP5.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.33
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 935971
2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509315
2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509334
2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509341
2,6-dichloro-N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509348
2,6-dichloro-N-[5-(tetralin-1-ylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509351
2,6-Dichloro-N-[5-(2,3-dihydro-1H-inden-1-ylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509390
2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509420
2,6-dichloro-N-[5-(2-cyanoethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509422
N-{5-[(1-Benzyl-4-piperidinyl)amino]-1,3,4-thiadiazol-2-yl}-2,6-dichlorobenzamide
CID 509427
4-cyano-N-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509431
2,4-Dichloro-N-[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509775

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide (CID 509376) is 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCc2cccc3ccccc23)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is RBWXVAPDOBUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4OS/c21-15-9-4-10-16(22)17(15)18(27)24-20-26-25-19(28-20)23-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,23,25)(H,24,26,27).
What are the key properties of 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 429.33 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).