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

C16H18ClN3OS — CID 71818279

IUPAC[2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(Nc3ccccc3Cl)n2)CC1
InChIInChI=1S/C16H18ClN3OS/c1-11-6-8-20(9-7-11)15(21)14-10-22-16(19-14)18-13-5-3-2-4-12(13)17/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeySZHIEAIGXTYYJS-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.41
Rot. Bonds3

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

[2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 71818279) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is [2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID71818279
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name[2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(Nc3ccccc3Cl)n2)CC1
InChIInChI=1S/C16H18ClN3OS/c1-11-6-8-20(9-7-11)15(21)14-10-22-16(19-14)18-13-5-3-2-4-12(13)17/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeySZHIEAIGXTYYJS-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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Related Compounds

Trpc3/6-IN-3
CID 71818575
2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
1-[2-(2-Chloroanilino)thiazole-4-yl]ethanone
CID 2744808
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
2-(3,4-dichloroanilino)-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 3160511
{2-[(2,6-Dichlorophenyl)amino](1,3-thiazol-4-yl)}-n-[4-(trifluoromethyl)phenyl]-carboxamide
CID 11661966
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
(2,3-Dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
CID 71818431
[2-(4-Chloro-2-fluoroanilino)-5-methyl-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818574
Piperazine amide, 6h
CID 44236965
2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
CID 654109

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 71818279) is [2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2csc(Nc3ccccc3Cl)n2)CC1.
What is the InChIKey of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SZHIEAIGXTYYJS-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)18-13-5-3-2-4-12(13)17/h2-5,10-11H,6-9H2,1H3,(H,18,19).
What are the key properties of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(2-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-(2-chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 71818279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).