N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

C11H19N3S — CID 103070174

IUPACN,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
SMILESC=C(CNC)CN(C)Cc1csc(C)n1
InChIInChI=1S/C11H19N3S/c1-9(5-12-3)6-14(4)7-11-8-15-10(2)13-11/h8,12H,1,5-7H2,2-4H3
InChIKeyUQEGPEBNIIRBQQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.66
Rot. Bonds6

About N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 103070174) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
PubChem CID103070174
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
SMILESC=C(CNC)CN(C)Cc1csc(C)n1
InChIInChI=1S/C11H19N3S/c1-9(5-12-3)6-14(4)7-11-8-15-10(2)13-11/h8,12H,1,5-7H2,2-4H3
InChIKeyUQEGPEBNIIRBQQ-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 103070150
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62051275
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 62255905
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 55088905
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylbutane-1,4-diamine
CID 62428102
N-methyl-4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]thiadiazol-5-amine
CID 62209431
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine (CID 103070174) is N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine is C=C(CNC)CN(C)Cc1csc(C)n1.
What is the InChIKey of N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is UQEGPEBNIIRBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(5-12-3)6-14(4)7-11-8-15-10(2)13-11/h8,12H,1,5-7H2,2-4H3.
What are the key properties of N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 225.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 103070174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).