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

C11H13N3S — CID 63078164

IUPAC2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
SMILESCc1c(N)cccc1NCc1nccs1
InChIInChI=1S/C11H13N3S/c1-8-9(12)3-2-4-10(8)14-7-11-13-5-6-15-11/h2-6,14H,7,12H2,1H3
InChIKeyXPGPXEQOEOBKRH-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.65
Rot. Bonds3

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

2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine (PubChem CID 63078164) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
PubChem CID63078164
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
SMILESCc1c(N)cccc1NCc1nccs1
InChIInChI=1S/C11H13N3S/c1-8-9(12)3-2-4-10(8)14-7-11-13-5-6-15-11/h2-6,14H,7,12H2,1H3
InChIKeyXPGPXEQOEOBKRH-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

2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
ethyl 2-amino-3-(1,3-thiazol-2-ylmethylamino)benzoate
CID 113332759
2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657832
2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 79017119
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
CID 106894773
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657020
3-bromo-4-methyl-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,5-diamine
CID 104506499
N-(1,3-thiazol-2-ylmethyl)-1H-indazol-7-amine
CID 63657431
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
CID 115320492
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine (CID 63078164) is 2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine is Cc1c(N)cccc1NCc1nccs1.
What is the InChIKey of 2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine?
The InChIKey is XPGPXEQOEOBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-9(12)3-2-4-10(8)14-7-11-13-5-6-15-11/h2-6,14H,7,12H2,1H3.
What are the key properties of 2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine?
2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-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-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 63078164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).