2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide

C14H12Cl2N6OS — CID 509374

IUPAC2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCc2cnc[nH]2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N6OS/c15-9-2-1-3-10(16)11(9)12(23)20-14-22-21-13(24-14)18-5-4-8-6-17-7-19-8/h1-3,6-7H,4-5H2,(H,17,19)(H,18,21)(H,20,22,23)
InChIKeyQNXFGHAXJPEGKH-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.47
Rot. Bonds6

About 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide

2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509374) has the molecular formula C14H12Cl2N6OS and a molecular weight of 383.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509374
Molecular FormulaC14H12Cl2N6OS
Molecular Weight383.26 g/mol
Exact Mass382.02
IUPAC Name2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCc2cnc[nH]2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N6OS/c15-9-2-1-3-10(16)11(9)12(23)20-14-22-21-13(24-14)18-5-4-8-6-17-7-19-8/h1-3,6-7H,4-5H2,(H,17,19)(H,18,21)(H,20,22,23)
InChIKeyQNXFGHAXJPEGKH-UHFFFAOYSA-N
XLogP3.47
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide (CID 509374) is 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCCc2cnc[nH]2)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is QNXFGHAXJPEGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N6OS/c15-9-2-1-3-10(16)11(9)12(23)20-14-22-21-13(24-14)18-5-4-8-6-17-7-19-8/h1-3,6-7H,4-5H2,(H,17,19)(H,18,21)(H,20,22,23).
What are the key properties of 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 383.26 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).