[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone

C21H23N3O2S — CID 46285749

IUPAC[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone
SMILESCOc1ccc(C)cc1Nc1nc(N)c(C(=O)c2cc(C)c(C)cc2C)s1
InChIInChI=1S/C21H23N3O2S/c1-11-6-7-17(26-5)16(8-11)23-21-24-20(22)19(27-21)18(25)15-10-13(3)12(2)9-14(15)4/h6-10H,22H2,1-5H3,(H,23,24)
InChIKeyQSPGWTRWGOFCAJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.94
Rot. Bonds5

About [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone

[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone (PubChem CID 46285749) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone
PubChem CID46285749
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone
SMILESCOc1ccc(C)cc1Nc1nc(N)c(C(=O)c2cc(C)c(C)cc2C)s1
InChIInChI=1S/C21H23N3O2S/c1-11-6-7-17(26-5)16(8-11)23-21-24-20(22)19(27-21)18(25)15-10-13(3)12(2)9-14(15)4/h6-10H,22H2,1-5H3,(H,23,24)
InChIKeyQSPGWTRWGOFCAJ-UHFFFAOYSA-N
XLogP4.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone (CID 46285749) is [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone is COc1ccc(C)cc1Nc1nc(N)c(C(=O)c2cc(C)c(C)cc2C)s1.
What is the InChIKey of [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone?
The InChIKey is QSPGWTRWGOFCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-11-6-7-17(26-5)16(8-11)23-21-24-20(22)19(27-21)18(25)15-10-13(3)12(2)9-14(15)4/h6-10H,22H2,1-5H3,(H,23,24).
What are the key properties of [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone?
[4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone has a molecular weight of 381.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-methoxy-5-methylanilino)-1,3-thiazol-5-yl]-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 46285749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).