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

C10H11N3S — CID 164658462

IUPAC2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2nccs2)ccc1N
InChIInChI=1S/C10H11N3S/c1-7-6-8(2-3-9(7)11)13-10-12-4-5-14-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyHSNAIJPQBUWSDK-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.78
Rot. Bonds2

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

2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine (PubChem CID 164658462) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
PubChem CID164658462
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2nccs2)ccc1N
InChIInChI=1S/C10H11N3S/c1-7-6-8(2-3-9(7)11)13-10-12-4-5-14-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyHSNAIJPQBUWSDK-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.78
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

N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
2-methyl-5-(1,3-thiazol-2-ylamino)phenol
CID 86645029
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
CID 63654743
6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22546640
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 89458948
N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine
CID 63759016
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
2-ethyl-4-(1,3-thiazol-2-ylamino)benzoic acid
CID 87550849
N-(2,3,4,6-tetramethylphenyl)-1,3-thiazol-2-amine
CID 142625572
N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine (CID 164658462) is 2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine is Cc1cc(Nc2nccs2)ccc1N.
What is the InChIKey of 2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine?
The InChIKey is HSNAIJPQBUWSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-6-8(2-3-9(7)11)13-10-12-4-5-14-10/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine?
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine has a molecular weight of 205.29 g/mol, XLogP of 2.78, 2 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-yl)benzene-1,4-diamine is sourced from PubChem (CID 164658462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).