N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

C8H15N3S — CID 62758290

IUPACN',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1cncs1
InChIInChI=1S/C8H15N3S/c1-11(2)4-3-9-5-8-6-10-7-12-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGXICMUZCRYGUPA-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.79
Rot. Bonds5

About N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 62758290) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID62758290
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1cncs1
InChIInChI=1S/C8H15N3S/c1-11(2)4-3-9-5-8-6-10-7-12-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGXICMUZCRYGUPA-UHFFFAOYSA-N
XLogP0.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62844142
N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 115732705
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
N',N'-dimethyl-N-(pyrimidin-5-ylmethyl)ethane-1,2-diamine
CID 62763082
2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)butane-1,2-diamine
CID 115732191
tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 103792918
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 62758491
2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115897921
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (CID 62758290) is N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is CN(C)CCNCc1cncs1.
What is the InChIKey of N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is GXICMUZCRYGUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-11(2)4-3-9-5-8-6-10-7-12-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 185.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62758290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).