N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine

C8H16N4S — CID 70458116

IUPACN'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
SMILESCN(C)c1ncc(CNCCN)s1
InChIInChI=1S/C8H16N4S/c1-12(2)8-11-6-7(13-8)5-10-4-3-9/h6,10H,3-5,9H2,1-2H3
InChIKeyCMVARMGOEMVOIY-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.26
Rot. Bonds5

About N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine

N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 70458116) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID70458116
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC NameN'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
SMILESCN(C)c1ncc(CNCCN)s1
InChIInChI=1S/C8H16N4S/c1-12(2)8-11-6-7(13-8)5-10-4-3-9/h6,10H,3-5,9H2,1-2H3
InChIKeyCMVARMGOEMVOIY-UHFFFAOYSA-N
XLogP0.26
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine (CID 70458116) is N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine is CN(C)c1ncc(CNCCN)s1.
What is the InChIKey of N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is CMVARMGOEMVOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-12(2)8-11-6-7(13-8)5-10-4-3-9/h6,10H,3-5,9H2,1-2H3.
What are the key properties of N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 200.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 70458116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).