2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine

C14H19N3S — CID 84594544

IUPAC2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
SMILESCCN(C)c1ccccc1NCc1nc(C)cs1
InChIInChI=1S/C14H19N3S/c1-4-17(3)13-8-6-5-7-12(13)15-9-14-16-11(2)10-18-14/h5-8,10,15H,4,9H2,1-3H3
InChIKeyWWMWITNWYHLTEF-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.52
Rot. Bonds5

About 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine

2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine (PubChem CID 84594544) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
PubChem CID84594544
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
SMILESCCN(C)c1ccccc1NCc1nc(C)cs1
InChIInChI=1S/C14H19N3S/c1-4-17(3)13-8-6-5-7-12(13)15-9-14-16-11(2)10-18-14/h5-8,10,15H,4,9H2,1-3H3
InChIKeyWWMWITNWYHLTEF-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine (CID 84594544) is 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine is CCN(C)c1ccccc1NCc1nc(C)cs1.
What is the InChIKey of 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine?
The InChIKey is WWMWITNWYHLTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-17(3)13-8-6-5-7-12(13)15-9-14-16-11(2)10-18-14/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine?
2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-methyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 84594544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).