N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide

C25H27N5O2S2 — CID 3688052

IUPACN'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
SMILESC=CCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)NN(C)c3ccccc3)cs2)CC1
InChIInChI=1S/C25H27N5O2S2/c1-3-16-33-24-20(10-7-13-26-24)25(32)30-14-11-18(12-15-30)23-27-21(17-34-23)22(31)28-29(2)19-8-5-4-6-9-19/h3-10,13,17-18H,1,11-12,14-16H2,2H3,(H,28,31)
InChIKeyJQAOCPNZQDLKIV-UHFFFAOYSA-N
MW493.66 g/mol
LogP4.62
Rot. Bonds8

About N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide

N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide (PubChem CID 3688052) has the molecular formula C25H27N5O2S2 and a molecular weight of 493.66 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
PubChem CID3688052
Molecular FormulaC25H27N5O2S2
Molecular Weight493.66 g/mol
Exact Mass493.16
IUPAC NameN'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
SMILESC=CCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)NN(C)c3ccccc3)cs2)CC1
InChIInChI=1S/C25H27N5O2S2/c1-3-16-33-24-20(10-7-13-26-24)25(32)30-14-11-18(12-15-30)23-27-21(17-34-23)22(31)28-29(2)19-8-5-4-6-9-19/h3-10,13,17-18H,1,11-12,14-16H2,2H3,(H,28,31)
InChIKeyJQAOCPNZQDLKIV-UHFFFAOYSA-N
XLogP4.62
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3695795
N-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3873768
N-[(3-methylphenyl)methyl]-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3860646
benzyl 2-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 3386937
2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 3446704
2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 4999346
ethyl 3-[[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]butanoate
CID 3827097
methyl 3-[2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxylate
CID 3280781
N-[(2-nitrophenyl)methyl]-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3783715
N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3693688
[4-[4-[4-[(Z)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(2-prop-2-enylsulfanyl-3-pyridinyl)methanone
CID 74229101
N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3839267

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide (CID 3688052) is N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide is C=CCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)NN(C)c3ccccc3)cs2)CC1.
What is the InChIKey of N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is JQAOCPNZQDLKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S2/c1-3-16-33-24-20(10-7-13-26-24)25(32)30-14-11-18(12-15-30)23-27-21(17-34-23)22(31)28-29(2)19-8-5-4-6-9-19/h3-10,13,17-18H,1,11-12,14-16H2,2H3,(H,28,31).
What are the key properties of N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?
N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 493.66 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3688052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).