5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine

C11H11ClN2OS — CID 167489856

IUPAC5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(N)nc2C)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-6-10(16-11(13)14-6)7-3-4-9(15-2)8(12)5-7/h3-5H,1-2H3,(H2,13,14)
InChIKeyQBSYGWFAGLDPDM-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.36
Rot. Bonds2

About 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine

5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 167489856) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID167489856
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(N)nc2C)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-6-10(16-11(13)14-6)7-3-4-9(15-2)8(12)5-7/h3-5H,1-2H3,(H2,13,14)
InChIKeyQBSYGWFAGLDPDM-UHFFFAOYSA-N
XLogP3.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
CID 82482114
5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide
CID 154989865
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 141384892
5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 82160764
5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 87577268
5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 86653054
1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65022179
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine (CID 167489856) is 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine is COc1ccc(-c2sc(N)nc2C)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is QBSYGWFAGLDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-6-10(16-11(13)14-6)7-3-4-9(15-2)8(12)5-7/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 254.74 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 167489856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).