2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C16H18Cl2N4OS — CID 1409656

IUPAC2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCCCC2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N4OS/c17-11-4-5-12(13(18)10-11)15(23)19-16-21-20-14(24-16)6-9-22-7-2-1-3-8-22/h4-5,10H,1-3,6-9H2,(H,19,21,23)
InChIKeyOGKHZDFYDUFQJT-UHFFFAOYSA-N
MW385.32 g/mol
LogP4.13
Rot. Bonds5

About 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1409656) has the molecular formula C16H18Cl2N4OS and a molecular weight of 385.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1409656
Molecular FormulaC16H18Cl2N4OS
Molecular Weight385.32 g/mol
Exact Mass384.06
IUPAC Name2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCCCC2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N4OS/c17-11-4-5-12(13(18)10-11)15(23)19-16-21-20-14(24-16)6-9-22-7-2-1-3-8-22/h4-5,10H,1-3,6-9H2,(H,19,21,23)
InChIKeyOGKHZDFYDUFQJT-UHFFFAOYSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
2-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1284554
2-chloro-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}benzamide
CID 2103737
2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2443348
N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16188869
1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 4802593
2-chloro-N-[3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 9406669
2-chloro-N-[5-(2-fluorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 783368
3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1402776
2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458577
2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2100275
1-(4-chlorobenzoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16548022

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1409656) is 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCN2CCCCC2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OGKHZDFYDUFQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4OS/c17-11-4-5-12(13(18)10-11)15(23)19-16-21-20-14(24-16)6-9-22-7-2-1-3-8-22/h4-5,10H,1-3,6-9H2,(H,19,21,23).
What are the key properties of 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 385.32 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1409656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).