4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine

C11H13N3S — CID 82059164

IUPAC4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCc1cnc(Nc2ccc(C)c(N)c2)s1
InChIInChI=1S/C11H13N3S/c1-7-3-4-9(5-10(7)12)14-11-13-6-8(2)15-11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyXOHMGZARSUDIOH-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.09
Rot. Bonds2

About 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine

4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine (PubChem CID 82059164) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
PubChem CID82059164
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCc1cnc(Nc2ccc(C)c(N)c2)s1
InChIInChI=1S/C11H13N3S/c1-7-3-4-9(5-10(7)12)14-11-13-6-8(2)15-11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyXOHMGZARSUDIOH-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.09
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-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059167
4-[(5-methyl-1,3-thiazol-2-yl)amino]phenol
CID 82059170
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
1-N-methoxy-4-methylbenzene-1,3-diamine
CID 87287100
4-methyl-1-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059232
5-amino-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxamide
CID 114405171
2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 116796301
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 102704840
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine (CID 82059164) is 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine is Cc1cnc(Nc2ccc(C)c(N)c2)s1.
What is the InChIKey of 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The InChIKey is XOHMGZARSUDIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-7-3-4-9(5-10(7)12)14-11-13-6-8(2)15-11/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine has a molecular weight of 219.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 82059164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).