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

C19H19N3OS — CID 46285574

IUPAC[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(Nc2nc(N)c(C(=O)c3cc(C)ccc3C)s2)cc1
InChIInChI=1S/C19H19N3OS/c1-11-5-8-14(9-6-11)21-19-22-18(20)17(24-19)16(23)15-10-12(2)4-7-13(15)3/h4-10H,20H2,1-3H3,(H,21,22)
InChIKeyJJOIJJFTDFIISB-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.63
Rot. Bonds4

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

[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone (PubChem CID 46285574) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
PubChem CID46285574
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(Nc2nc(N)c(C(=O)c3cc(C)ccc3C)s2)cc1
InChIInChI=1S/C19H19N3OS/c1-11-5-8-14(9-6-11)21-19-22-18(20)17(24-19)16(23)15-10-12(2)4-7-13(15)3/h4-10H,20H2,1-3H3,(H,21,22)
InChIKeyJJOIJJFTDFIISB-UHFFFAOYSA-N
XLogP4.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-Amino-2-(3-chloroanilino)-1,3-thiazol-5-yl](4-fluorophenyl)methanone
CID 914283
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
1-[4-Methyl-2-(Naphthalen-2-Ylamino)-1,3-Thiazol-5-Yl]ethanone
CID 118732495
(4-Amino-2-(tert-butylamino)-1,3-thiazol-5-yl)(phenyl)methanone
CID 1484819
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
CID 733782
4-[(4-Amino-5-Benzoyl-1,3-Thiazol-2-Yl)amino]benzenesulfonamide
CID 73354900
[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone
CID 399620
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 959085
[4-Amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 931219

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone (CID 46285574) is [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone is Cc1ccc(Nc2nc(N)c(C(=O)c3cc(C)ccc3C)s2)cc1.
What is the InChIKey of [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone?
The InChIKey is JJOIJJFTDFIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-5-8-14(9-6-11)21-19-22-18(20)17(24-19)16(23)15-10-12(2)4-7-13(15)3/h4-10H,20H2,1-3H3,(H,21,22).
What are the key properties of [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone?
[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone has a molecular weight of 337.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 46285574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).