4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide

C16H16N4OS2 — CID 121166113

IUPAC4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C16H16N4OS2/c1-2-5-12-15(23-20-19-12)16(21)18-10-11-6-3-8-17-14(11)13-7-4-9-22-13/h3-4,6-9H,2,5,10H2,1H3,(H,18,21)
InChIKeyUIWPRLMXBKPCPR-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.54
Rot. Bonds6

About 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide

4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide (PubChem CID 121166113) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
PubChem CID121166113
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C16H16N4OS2/c1-2-5-12-15(23-20-19-12)16(21)18-10-11-6-3-8-17-14(11)13-7-4-9-22-13/h3-4,6-9H,2,5,10H2,1H3,(H,18,21)
InChIKeyUIWPRLMXBKPCPR-UHFFFAOYSA-N
XLogP3.54
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]-1,2-oxazole-4-carboxamide
CID 91625820
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 126852668
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide (CID 121166113) is 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1cccnc1-c1cccs1.
What is the InChIKey of 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is UIWPRLMXBKPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-2-5-12-15(23-20-19-12)16(21)18-10-11-6-3-8-17-14(11)13-7-4-9-22-13/h3-4,6-9H,2,5,10H2,1H3,(H,18,21).
What are the key properties of 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide?
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 121166113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).