[2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C16H18ClN3OS — CID 71818278

IUPAC[2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C16H18ClN3OS/c1-11-6-8-20(9-7-11)15(21)14-10-22-16(19-14)18-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyVEIFRHMKIXVPLN-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.41
Rot. Bonds3

About [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 71818278) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID71818278
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name[2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C16H18ClN3OS/c1-11-6-8-20(9-7-11)15(21)14-10-22-16(19-14)18-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyVEIFRHMKIXVPLN-UHFFFAOYSA-N
XLogP4.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 71818278) is [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VEIFRHMKIXVPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-11-6-8-20(9-7-11)15(21)14-10-22-16(19-14)18-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,18,19).
What are the key properties of [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 335.86 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 71818278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).