[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone

C18H16ClN3OS — CID 46285711

IUPAC[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
SMILESCc1cc(C)cc(Nc2nc(N)c(C(=O)c3ccccc3Cl)s2)c1
InChIInChI=1S/C18H16ClN3OS/c1-10-7-11(2)9-12(8-10)21-18-22-17(20)16(24-18)15(23)13-5-3-4-6-14(13)19/h3-9H,20H2,1-2H3,(H,21,22)
InChIKeySKANZALKFILXRQ-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.97
Rot. Bonds4

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

[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone (PubChem CID 46285711) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
PubChem CID46285711
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
SMILESCc1cc(C)cc(Nc2nc(N)c(C(=O)c3ccccc3Cl)s2)c1
InChIInChI=1S/C18H16ClN3OS/c1-10-7-11(2)9-12(8-10)21-18-22-17(20)16(24-18)15(23)13-5-3-4-6-14(13)19/h3-9H,20H2,1-2H3,(H,21,22)
InChIKeySKANZALKFILXRQ-UHFFFAOYSA-N
XLogP4.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone (CID 46285711) is [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone is Cc1cc(C)cc(Nc2nc(N)c(C(=O)c3ccccc3Cl)s2)c1.
What is the InChIKey of [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The InChIKey is SKANZALKFILXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-10-7-11(2)9-12(8-10)21-18-22-17(20)16(24-18)15(23)13-5-3-4-6-14(13)19/h3-9H,20H2,1-2H3,(H,21,22).
What are the key properties of [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone has a molecular weight of 357.87 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 46285711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).