N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C21H29N5OS — CID 90185176

IUPACN'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)N3CCCCC3)cs2)nc1C
InChIInChI=1S/C21H29N5OS/c1-5-25(4)14-22-18-11-15(2)17(23-16(18)3)12-20-24-19(13-28-20)21(27)26-9-7-6-8-10-26/h11,13-14H,5-10,12H2,1-4H3/b22-14+
InChIKeyHEORGDRMEQWKKG-HYARGMPZSA-N
MW399.56 g/mol
LogP3.98
Rot. Bonds6

About N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 90185176) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID90185176
Molecular FormulaC21H29N5OS
Molecular Weight399.56 g/mol
Exact Mass399.21
IUPAC NameN'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)N3CCCCC3)cs2)nc1C
InChIInChI=1S/C21H29N5OS/c1-5-25(4)14-22-18-11-15(2)17(23-16(18)3)12-20-24-19(13-28-20)21(27)26-9-7-6-8-10-26/h11,13-14H,5-10,12H2,1-4H3/b22-14+
InChIKeyHEORGDRMEQWKKG-HYARGMPZSA-N
XLogP3.98
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 90185005
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
[2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 46157835
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 119710646
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66390323
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 119755496
N'-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 71250695
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763251
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 90185176) is N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)N3CCCCC3)cs2)nc1C.
What is the InChIKey of N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is HEORGDRMEQWKKG-HYARGMPZSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-5-25(4)14-22-18-11-15(2)17(23-16(18)3)12-20-24-19(13-28-20)21(27)26-9-7-6-8-10-26/h11,13-14H,5-10,12H2,1-4H3/b22-14+.
What are the key properties of N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 399.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-6-[[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 90185176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).