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

C17H29N5O2S — CID 110035321

IUPACN,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
SMILESCc1cnc(C(C)CN/C(=N/CC(=O)N(C)C)NCC2CCOC2)s1
InChIInChI=1S/C17H29N5O2S/c1-12(16-18-8-13(2)25-16)7-19-17(21-10-15(23)22(3)4)20-9-14-5-6-24-11-14/h8,12,14H,5-7,9-11H2,1-4H3,(H2,19,20,21)
InChIKeyDHHMOJGDYWBQFO-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.21
Rot. Bonds7

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

N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide (PubChem CID 110035321) has the molecular formula C17H29N5O2S and a molecular weight of 367.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
PubChem CID110035321
Molecular FormulaC17H29N5O2S
Molecular Weight367.52 g/mol
Exact Mass367.20
IUPAC NameN,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
SMILESCc1cnc(C(C)CN/C(=N/CC(=O)N(C)C)NCC2CCOC2)s1
InChIInChI=1S/C17H29N5O2S/c1-12(16-18-8-13(2)25-16)7-19-17(21-10-15(23)22(3)4)20-9-14-5-6-24-11-14/h8,12,14H,5-7,9-11H2,1-4H3,(H2,19,20,21)
InChIKeyDHHMOJGDYWBQFO-UHFFFAOYSA-N
XLogP1.21
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.21
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'}

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

N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110034821
N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034820
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
2-[[[2-(furan-2-yl)ethylamino]-[2-(5-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110052526
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906924
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111654805
N,N-dimethyl-2-[[(oxolan-3-ylmethylamino)-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
CID 111907133
2-[[[(4,4-dimethylcyclohexyl)methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036538
N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclopentyl]methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110045103
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111907282

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide (CID 110035321) is N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide is Cc1cnc(C(C)CN/C(=N/CC(=O)N(C)C)NCC2CCOC2)s1.
What is the InChIKey of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The InChIKey is DHHMOJGDYWBQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2S/c1-12(16-18-8-13(2)25-16)7-19-17(21-10-15(23)22(3)4)20-9-14-5-6-24-11-14/h8,12,14H,5-7,9-11H2,1-4H3,(H2,19,20,21).
What are the key properties of N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[2-(5-methyl-1,3-thiazol-2-yl)propylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide has a molecular weight of 367.52 g/mol, XLogP of 1.21, 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]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110035321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).