N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C15H18N4OS2 — CID 46536572

IUPACN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1ccc[nH]c1=S
InChIInChI=1S/C15H18N4OS2/c20-13(12-5-4-6-16-14(12)21)18-15-17-11(10-22-15)9-19-7-2-1-3-8-19/h4-6,10H,1-3,7-9H2,(H,16,21)(H,17,18,20)
InChIKeyCAMQGIXFKMPJQX-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.44
Rot. Bonds4

About N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 46536572) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID46536572
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1ccc[nH]c1=S
InChIInChI=1S/C15H18N4OS2/c20-13(12-5-4-6-16-14(12)21)18-15-17-11(10-22-15)9-19-7-2-1-3-8-19/h4-6,10H,1-3,7-9H2,(H,16,21)(H,17,18,20)
InChIKeyCAMQGIXFKMPJQX-UHFFFAOYSA-N
XLogP3.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 29329498
2-ethoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30182986
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 154737418
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 32868667
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide
CID 126781218
5-bromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 78775861
2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182384

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 46536572) is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc[nH]c1=S.
What is the InChIKey of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is CAMQGIXFKMPJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c20-13(12-5-4-6-16-14(12)21)18-15-17-11(10-22-15)9-19-7-2-1-3-8-19/h4-6,10H,1-3,7-9H2,(H,16,21)(H,17,18,20).
What are the key properties of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46536572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).