2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine

C11H13N3OS — CID 102768352

IUPAC2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine
SMILESCOc1ccc(Nc2ncc(N)s2)c(C)c1
InChIInChI=1S/C11H13N3OS/c1-7-5-8(15-2)3-4-9(7)14-11-13-6-10(12)16-11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyHLWHPIDTSBMWQV-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.79
Rot. Bonds3

About 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine

2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768352) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine
PubChem CID102768352
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine
SMILESCOc1ccc(Nc2ncc(N)s2)c(C)c1
InChIInChI=1S/C11H13N3OS/c1-7-5-8(15-2)3-4-9(7)14-11-13-6-10(12)16-11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyHLWHPIDTSBMWQV-UHFFFAOYSA-N
XLogP2.79
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine
CID 102767442
2-N-(2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 102767348
4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
CID 82237771
5-iodo-N-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971
[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 167436494
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
4-methoxy-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 81306393
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 115416925
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine (CID 102768352) is 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine is COc1ccc(Nc2ncc(N)s2)c(C)c1.
What is the InChIKey of 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is HLWHPIDTSBMWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-5-8(15-2)3-4-9(7)14-11-13-6-10(12)16-11/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine?
2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 235.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).