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

C15H27N5OS2 — CID 110047728

IUPAC2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCSCCN/C(=N\CC(=O)N(C)C)NCCc1nc(C)c(C)s1
InChIInChI=1S/C15H27N5OS2/c1-11-12(2)23-13(19-11)6-7-16-15(17-8-9-22-5)18-10-14(21)20(3)4/h6-10H2,1-5H3,(H2,16,17,18)
InChIKeyYZLXOVCORFUMNQ-UHFFFAOYSA-N
MW357.55 g/mol
LogP1.29
Rot. Bonds8

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

2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110047728) has the molecular formula C15H27N5OS2 and a molecular weight of 357.55 g/mol. Its IUPAC name is 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110047728
Molecular FormulaC15H27N5OS2
Molecular Weight357.55 g/mol
Exact Mass357.17
IUPAC Name2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCSCCN/C(=N\CC(=O)N(C)C)NCCc1nc(C)c(C)s1
InChIInChI=1S/C15H27N5OS2/c1-11-12(2)23-13(19-11)6-7-16-15(17-8-9-22-5)18-10-14(21)20(3)4/h6-10H2,1-5H3,(H2,16,17,18)
InChIKeyYZLXOVCORFUMNQ-UHFFFAOYSA-N
XLogP1.29
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047686
2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047675
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047673
2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111775778
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-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111775772
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111775385
2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119160596
2-[[[2-(3-fluorophenyl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111907259
2-[[[2-(3-chlorophenyl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111907315
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111343722
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[2-(1,3-thiazol-2-yl)propylamino]methylidene]amino]acetamide
CID 110036291

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110047728) is 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide is CSCCN/C(=N\CC(=O)N(C)C)NCCc1nc(C)c(C)s1.
What is the InChIKey of 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is YZLXOVCORFUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5OS2/c1-11-12(2)23-13(19-11)6-7-16-15(17-8-9-22-5)18-10-14(21)20(3)4/h6-10H2,1-5H3,(H2,16,17,18).
What are the key properties of 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 357.55 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110047728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).