4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C15H25N5OS — CID 111144318

IUPAC4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESC/N=C(\NCCNC(=O)c1scnc1C)N1CCCC(C)C1
InChIInChI=1S/C15H25N5OS/c1-11-5-4-8-20(9-11)15(16-3)18-7-6-17-14(21)13-12(2)19-10-22-13/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,21)
InChIKeyFYHPCPKFIWOGPS-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.49
Rot. Bonds4

About 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 111144318) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID111144318
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESC/N=C(\NCCNC(=O)c1scnc1C)N1CCCC(C)C1
InChIInChI=1S/C15H25N5OS/c1-11-5-4-8-20(9-11)15(16-3)18-7-6-17-14(21)13-12(2)19-10-22-13/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,21)
InChIKeyFYHPCPKFIWOGPS-UHFFFAOYSA-N
XLogP1.49
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 109443572
N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111146016
4-methoxy-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111143939
N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111211889
N-[2-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111549734
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145038
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111144338
N-[3-(4-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144532
N-cyclohexyl-3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111145291

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 111144318) is 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide is C/N=C(\NCCNC(=O)c1scnc1C)N1CCCC(C)C1.
What is the InChIKey of 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FYHPCPKFIWOGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-11-5-4-8-20(9-11)15(16-3)18-7-6-17-14(21)13-12(2)19-10-22-13/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,21).
What are the key properties of 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111144318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).