N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide

C19H19N5OS2 — CID 6905916

IUPACN-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)c1cccnc1
InChIInChI=1S/C19H19N5OS2/c25-18(14-6-4-8-20-12-14)23-21-13-16-17(15-7-5-11-26-15)22-19(27-16)24-9-2-1-3-10-24/h4-8,11-13H,1-3,9-10H2,(H,23,25)/b21-13+
InChIKeyOTJKISFLGCHUEH-FYJGNVAPSA-N
MW397.53 g/mol
LogP4.02
Rot. Bonds5

About N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6905916) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID6905916
Molecular FormulaC19H19N5OS2
Molecular Weight397.53 g/mol
Exact Mass397.10
IUPAC NameN-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)c1cccnc1
InChIInChI=1S/C19H19N5OS2/c25-18(14-6-4-8-20-12-14)23-21-13-16-17(15-7-5-11-26-15)22-19(27-16)24-9-2-1-3-10-24/h4-8,11-13H,1-3,9-10H2,(H,23,25)/b21-13+
InChIKeyOTJKISFLGCHUEH-FYJGNVAPSA-N
XLogP4.02
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
Dipyridodiazepinone deriv. 46
CID 463566
Dipyridodiazepinone deriv. 47
CID 463567
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-methoxyimino-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 134142854
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
3-Pyridinecarboxamide, N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 2576416
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 121476884
N-cyclohexyl-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
CID 121476982
1-[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one
CID 134156774

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide (CID 6905916) is N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)c1cccnc1.
What is the InChIKey of N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is OTJKISFLGCHUEH-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H19N5OS2/c25-18(14-6-4-8-20-12-14)23-21-13-16-17(15-7-5-11-26-15)22-19(27-16)24-9-2-1-3-10-24/h4-8,11-13H,1-3,9-10H2,(H,23,25)/b21-13+.
What are the key properties of N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6905916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).