2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C17H30IN5OS — CID 110047675

IUPAC2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCc1nc(CCN/C(=N\CC(=O)N(C)C)NC2CCCC2)sc1C.I
InChIInChI=1S/C17H29N5OS.HI/c1-12-13(2)24-15(20-12)9-10-18-17(19-11-16(23)22(3)4)21-14-7-5-6-8-14;/h14H,5-11H2,1-4H3,(H2,18,19,21);1H
InChIKeyIUPNWOFAAQLEPU-UHFFFAOYSA-N
MW479.43 g/mol
LogP2.49
Rot. Bonds6

About 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110047675) has the molecular formula C17H30IN5OS and a molecular weight of 479.43 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110047675
Molecular FormulaC17H30IN5OS
Molecular Weight479.43 g/mol
Exact Mass479.12
IUPAC Name2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCc1nc(CCN/C(=N\CC(=O)N(C)C)NC2CCCC2)sc1C.I
InChIInChI=1S/C17H29N5OS.HI/c1-12-13(2)24-15(20-12)9-10-18-17(19-11-16(23)22(3)4)21-14-7-5-6-8-14;/h14H,5-11H2,1-4H3,(H2,18,19,21);1H
InChIKeyIUPNWOFAAQLEPU-UHFFFAOYSA-N
XLogP2.49
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110047721
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047686
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047728
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047673
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110036490
2-[[(cyclohexylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110958733
2-[[(cyclopentylamino)-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111842415
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(cyclopentylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035895
2-[[(cyclopentylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494906
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110047675) is 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is Cc1nc(CCN/C(=N\CC(=O)N(C)C)NC2CCCC2)sc1C.I.
What is the InChIKey of 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is IUPNWOFAAQLEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS.HI/c1-12-13(2)24-15(20-12)9-10-18-17(19-11-16(23)22(3)4)21-14-7-5-6-8-14;/h14H,5-11H2,1-4H3,(H2,18,19,21);1H.
What are the key properties of 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 479.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110047675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).