1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C14H19ClN4O2S — CID 71890791

IUPAC1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2snc(Cl)c2C#N)CC1
InChIInChI=1S/C14H19ClN4O2S/c1-21-8-2-5-17-13(20)10-3-6-19(7-4-10)14-11(9-16)12(15)18-22-14/h10H,2-8H2,1H3,(H,17,20)
InChIKeyQHTVLOMDHLLLFL-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.04
Rot. Bonds6

About 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 71890791) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID71890791
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC Name1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2snc(Cl)c2C#N)CC1
InChIInChI=1S/C14H19ClN4O2S/c1-21-8-2-5-17-13(20)10-3-6-19(7-4-10)14-11(9-16)12(15)18-22-14/h10H,2-8H2,1H3,(H,17,20)
InChIKeyQHTVLOMDHLLLFL-UHFFFAOYSA-N
XLogP2.04
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 71891778
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
methyl 2-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444413
1-[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 56525653
1-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 50768489
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
N-(3-methoxypropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165697
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
1-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 56525660
N-(3-methoxypropyl)-1-(3-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46333914

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 71890791) is 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2snc(Cl)c2C#N)CC1.
What is the InChIKey of 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is QHTVLOMDHLLLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2S/c1-21-8-2-5-17-13(20)10-3-6-19(7-4-10)14-11(9-16)12(15)18-22-14/h10H,2-8H2,1H3,(H,17,20).
What are the key properties of 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 342.85 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyano-1,2-thiazol-5-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 71890791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).