N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide

C18H31N5O2S — CID 110034821

IUPACN,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
SMILESCc1cnc(C(C)CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)s1
InChIInChI=1S/C18H31N5O2S/c1-13(17-19-10-14(2)26-17)9-20-18(22-12-16(24)23(3)4)21-11-15-7-5-6-8-25-15/h10,13,15H,5-9,11-12H2,1-4H3,(H2,20,21,22)
InChIKeyVOEIWAGGWLBCOI-UHFFFAOYSA-N
MW381.55 g/mol
LogP1.75
Rot. Bonds7

About N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide (PubChem CID 110034821) has the molecular formula C18H31N5O2S and a molecular weight of 381.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
PubChem CID110034821
Molecular FormulaC18H31N5O2S
Molecular Weight381.55 g/mol
Exact Mass381.22
IUPAC NameN,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
SMILESCc1cnc(C(C)CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)s1
InChIInChI=1S/C18H31N5O2S/c1-13(17-19-10-14(2)26-17)9-20-18(22-12-16(24)23(3)4)21-11-15-7-5-6-8-25-15/h10,13,15H,5-9,11-12H2,1-4H3,(H2,20,21,22)
InChIKeyVOEIWAGGWLBCOI-UHFFFAOYSA-N
XLogP1.75
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 51.75
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,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034820
N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110035321
N,N-dimethyl-2-[[(2-methylpropylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 111777829
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110034817
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034816
2-[[butylamino-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034810
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110037263
2-[[[2-(furan-2-yl)ethylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110052526
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(propylamino)methylidene]amino]acetamide
CID 111777536
N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034808
2-[[(cyclopentylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111495888
N,N-dimethyl-2-[[[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110040531

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide (CID 110034821) is N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide is Cc1cnc(C(C)CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)s1.
What is the InChIKey of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide?
The InChIKey is VOEIWAGGWLBCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2S/c1-13(17-19-10-14(2)26-17)9-20-18(22-12-16(24)23(3)4)21-11-15-7-5-6-8-25-15/h10,13,15H,5-9,11-12H2,1-4H3,(H2,20,21,22).
What are the key properties of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide has a molecular weight of 381.55 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110034821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).