1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine

C13H18N4S — CID 143508746

IUPAC1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine
SMILESCNc1ncc(-c2ccc(NC)c(N(C)C)c2)s1
InChIInChI=1S/C13H18N4S/c1-14-10-6-5-9(7-11(10)17(3)4)12-8-16-13(15-2)18-12/h5-8,14H,1-4H3,(H,15,16)
InChIKeyBBFBOEOPWJMMKF-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.96
Rot. Bonds4

About 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine

1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine (PubChem CID 143508746) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine
PubChem CID143508746
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine
SMILESCNc1ncc(-c2ccc(NC)c(N(C)C)c2)s1
InChIInChI=1S/C13H18N4S/c1-14-10-6-5-9(7-11(10)17(3)4)12-8-16-13(15-2)18-12/h5-8,14H,1-4H3,(H,15,16)
InChIKeyBBFBOEOPWJMMKF-UHFFFAOYSA-N
XLogP2.96
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine (CID 143508746) is 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine is CNc1ncc(-c2ccc(NC)c(N(C)C)c2)s1.
What is the InChIKey of 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine?
The InChIKey is BBFBOEOPWJMMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-14-10-6-5-9(7-11(10)17(3)4)12-8-16-13(15-2)18-12/h5-8,14H,1-4H3,(H,15,16).
What are the key properties of 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine?
1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine is sourced from PubChem (CID 143508746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).