4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide

C14H18N4OS2 — CID 30864308

IUPAC4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESCCc1nnc(C2CCN(C(=O)Nc3cccs3)CC2)s1
InChIInChI=1S/C14H18N4OS2/c1-2-11-16-17-13(21-11)10-5-7-18(8-6-10)14(19)15-12-4-3-9-20-12/h3-4,9-10H,2,5-8H2,1H3,(H,15,19)
InChIKeyPHSANFZSFHABBC-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.57
Rot. Bonds3

About 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide

4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 30864308) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID30864308
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESCCc1nnc(C2CCN(C(=O)Nc3cccs3)CC2)s1
InChIInChI=1S/C14H18N4OS2/c1-2-11-16-17-13(21-11)10-5-7-18(8-6-10)14(19)15-12-4-3-9-20-12/h3-4,9-10H,2,5-8H2,1H3,(H,15,19)
InChIKeyPHSANFZSFHABBC-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864319
(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100633412
4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 97039658
4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
CID 90558841
4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122160627
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide
CID 100702386
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
2-methyl-N-thiophen-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 121185472
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816471
(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100754062

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide (CID 30864308) is 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide is CCc1nnc(C2CCN(C(=O)Nc3cccs3)CC2)s1.
What is the InChIKey of 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is PHSANFZSFHABBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-2-11-16-17-13(21-11)10-5-7-18(8-6-10)14(19)15-12-4-3-9-20-12/h3-4,9-10H,2,5-8H2,1H3,(H,15,19).
What are the key properties of 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide?
4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 30864308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).