2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine

C11H13N3S — CID 61283842

IUPAC2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
SMILESCc1cc(NCc2nccs2)ccc1N
InChIInChI=1S/C11H13N3S/c1-8-6-9(2-3-10(8)12)14-7-11-13-4-5-15-11/h2-6,14H,7,12H2,1H3
InChIKeyHOOUOLOIVHOFEJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.65
Rot. Bonds3

About 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine

2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine (PubChem CID 61283842) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
PubChem CID61283842
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
SMILESCc1cc(NCc2nccs2)ccc1N
InChIInChI=1S/C11H13N3S/c1-8-6-9(2-3-10(8)12)14-7-11-13-4-5-15-11/h2-6,14H,7,12H2,1H3
InChIKeyHOOUOLOIVHOFEJ-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 103579715
2-nitro-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 121334834
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
5-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 103823906
5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657020
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
3-bromo-4-methyl-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,5-diamine
CID 104506499
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
CID 63078164
5-amino-4-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625413

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine (CID 61283842) is 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine is Cc1cc(NCc2nccs2)ccc1N.
What is the InChIKey of 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is HOOUOLOIVHOFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-6-9(2-3-10(8)12)14-7-11-13-4-5-15-11/h2-6,14H,7,12H2,1H3.
What are the key properties of 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine?
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 219.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 61283842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).