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

C10H19N3S — CID 62427011

IUPACN,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1cscn1
InChIInChI=1S/C10H19N3S/c1-9(4-11-2)5-13(3)6-10-7-14-8-12-10/h7-9,11H,4-6H2,1-3H3
InChIKeyTZJAMMZVYOEAJT-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.43
Rot. Bonds6

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

N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (PubChem CID 62427011) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
PubChem CID62427011
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESCNCC(C)CN(C)Cc1cscn1
InChIInChI=1S/C10H19N3S/c1-9(4-11-2)5-13(3)6-10-7-14-8-12-10/h7-9,11H,4-6H2,1-3H3
InChIKeyTZJAMMZVYOEAJT-UHFFFAOYSA-N
XLogP1.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 64996041
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 104682080
N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 79202050
N'-methyl-N-(3-methylbutyl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62554167
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115996809
N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 103070150
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62428614
3,3,3-trifluoro-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]propanoic acid
CID 80996867
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (CID 62427011) is N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is CNCC(C)CN(C)Cc1cscn1.
What is the InChIKey of N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The InChIKey is TZJAMMZVYOEAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9(4-11-2)5-13(3)6-10-7-14-8-12-10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62427011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).