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

C10H19N3S — CID 79202050

IUPACN,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
SMILESCNCC(C)CNCCc1cscn1
InChIInChI=1S/C10H19N3S/c1-9(5-11-2)6-12-4-3-10-7-14-8-13-10/h7-9,11-12H,3-6H2,1-2H3
InChIKeyAFQQGFHAPQTEGI-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.13
Rot. Bonds7

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

N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine (PubChem CID 79202050) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
PubChem CID79202050
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
SMILESCNCC(C)CNCCc1cscn1
InChIInChI=1S/C10H19N3S/c1-9(5-11-2)6-12-4-3-10-7-14-8-13-10/h7-9,11-12H,3-6H2,1-2H3
InChIKeyAFQQGFHAPQTEGI-UHFFFAOYSA-N
XLogP1.13
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine
CID 104682227
2-methyl-1-N-[2-(1,3-thiazol-4-yl)ethyl]heptane-1,6-diamine
CID 65296150
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62529899
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829341
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831687
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688
4-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]aniline
CID 63825390
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine (CID 79202050) is N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine is CNCC(C)CNCCc1cscn1.
What is the InChIKey of N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The InChIKey is AFQQGFHAPQTEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9(5-11-2)6-12-4-3-10-7-14-8-13-10/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 79202050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).