3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

C18H26N6OS — CID 109421182

IUPAC3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)N(C)Cc1csc(C)n1
InChIInChI=1S/C18H26N6OS/c1-5-19-18(24(4)11-15-12-26-14(3)22-15)20-10-9-17(25)23-16-8-6-7-13(2)21-16/h6-8,12H,5,9-11H2,1-4H3,(H,19,20)(H,21,23,25)
InChIKeyHUPQLBCCUYRHOB-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.58
Rot. Bonds7

About 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide

3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 109421182) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID109421182
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCCN/C(=N\CCC(=O)Nc1cccc(C)n1)N(C)Cc1csc(C)n1
InChIInChI=1S/C18H26N6OS/c1-5-19-18(24(4)11-15-12-26-14(3)22-15)20-10-9-17(25)23-16-8-6-7-13(2)21-16/h6-8,12H,5,9-11H2,1-4H3,(H,19,20)(H,21,23,25)
InChIKeyHUPQLBCCUYRHOB-UHFFFAOYSA-N
XLogP2.58
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
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-(2-chloro-4-methylphenyl)-3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]propanamide
CID 109423728
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylguanidine
CID 109423768
3-ethyl-1-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423121
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 109423198
3-[[[(2,4-dimethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111297308
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 109423172
2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 109424355
N-[3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethoxy]phenyl]acetamide
CID 109423708
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 109423057
2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109425229
2-[2-(benzenesulfonyl)ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423193
3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 109424703

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide (CID 109421182) is 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is CCN/C(=N\CCC(=O)Nc1cccc(C)n1)N(C)Cc1csc(C)n1.
What is the InChIKey of 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is HUPQLBCCUYRHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-5-19-18(24(4)11-15-12-26-14(3)22-15)20-10-9-17(25)23-16-8-6-7-13(2)21-16/h6-8,12H,5,9-11H2,1-4H3,(H,19,20)(H,21,23,25).
What are the key properties of 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 109421182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).