N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide

C13H21N5OS — CID 111524852

IUPACN-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCc1ncc(C)s1
InChIInChI=1S/C13H21N5OS/c1-3-14-13(16-7-11(19)18-10-4-5-10)17-8-12-15-6-9(2)20-12/h6,10H,3-5,7-8H2,1-2H3,(H,18,19)(H2,14,16,17)
InChIKeyVZYAXMCZIZOLIH-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.79
Rot. Bonds6

About N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide

N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide (PubChem CID 111524852) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide
PubChem CID111524852
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC NameN-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCc1ncc(C)s1
InChIInChI=1S/C13H21N5OS/c1-3-14-13(16-7-11(19)18-10-4-5-10)17-8-12-15-6-9(2)20-12/h6,10H,3-5,7-8H2,1-2H3,(H,18,19)(H2,14,16,17)
InChIKeyVZYAXMCZIZOLIH-UHFFFAOYSA-N
XLogP0.79
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111524419
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495610
N-cyclopropyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111957482
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111495609
1-ethyl-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111522316
1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 111523938
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
N-tert-butyl-2-[[ethylamino-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]acetamide
CID 111797374
N-cyclopropyl-2-[4-[2-[[N-ethyl-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111523321
1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111523937
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111525159
4-[[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111524449

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide (CID 111524852) is N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)NCc1ncc(C)s1.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide?
The InChIKey is VZYAXMCZIZOLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-3-14-13(16-7-11(19)18-10-4-5-10)17-8-12-15-6-9(2)20-12/h6,10H,3-5,7-8H2,1-2H3,(H,18,19)(H2,14,16,17).
What are the key properties of N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide?
N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide has a molecular weight of 295.41 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111524852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).