2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

C15H25N5OS — CID 111775772

IUPAC2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCc1nc(C)c(C)s1
InChIInChI=1S/C15H25N5OS/c1-10(2)7-16-15(18-9-14(21)20(5)6)17-8-13-19-11(3)12(4)22-13/h1,7-9H2,2-6H3,(H2,16,17,18)
InChIKeyPJWGJFHGLZVINL-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.46
Rot. Bonds6

About 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111775772) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111775772
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCc1nc(C)c(C)s1
InChIInChI=1S/C15H25N5OS/c1-10(2)7-16-15(18-9-14(21)20(5)6)17-8-13-19-11(3)12(4)22-13/h1,7-9H2,2-6H3,(H2,16,17,18)
InChIKeyPJWGJFHGLZVINL-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.46
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111775778
2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119160596
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]acetamide
CID 111796857
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-ethylbutylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111778777
tert-butyl N-[2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]carbamate
CID 111365799
2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047675
2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111279499
N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111622652
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methylidene]amino]acetamide;hydroiodide
CID 110038808
N,N-dimethyl-2-[[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110049164

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111775772) is 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NCc1nc(C)c(C)s1.
What is the InChIKey of 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is PJWGJFHGLZVINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-10(2)7-16-15(18-9-14(21)20(5)6)17-8-13-19-11(3)12(4)22-13/h1,7-9H2,2-6H3,(H2,16,17,18).
What are the key properties of 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 323.47 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111775772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).