N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine

C10H17N3S — CID 103070150

IUPACN,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)Cc1cscn1
InChIInChI=1S/C10H17N3S/c1-9(4-11-2)5-13(3)6-10-7-14-8-12-10/h7-8,11H,1,4-6H2,2-3H3
InChIKeyWIVSDGRESDHSDS-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.35
Rot. Bonds6

About N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine

N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (PubChem CID 103070150) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
PubChem CID103070150
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC)CN(C)Cc1cscn1
InChIInChI=1S/C10H17N3S/c1-9(4-11-2)5-13(3)6-10-7-14-8-12-10/h7-8,11H,1,4-6H2,2-3H3
InChIKeyWIVSDGRESDHSDS-UHFFFAOYSA-N
XLogP1.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.35
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'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 103070174
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
CID 114495556
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 62426653
1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052817
N'-methyl-N-(3-methylbutyl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62554167
2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (CID 103070150) is N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is C=C(CNC)CN(C)Cc1cscn1.
What is the InChIKey of N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The InChIKey is WIVSDGRESDHSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-9(4-11-2)5-13(3)6-10-7-14-8-12-10/h7-8,11H,1,4-6H2,2-3H3.
What are the key properties of N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine has a molecular weight of 211.33 g/mol, XLogP of 1.35, 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'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 103070150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).