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

C17H21N3OS — CID 71818282

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCCCC3C)cs2)cc1
InChIInChI=1S/C17H21N3OS/c1-12-6-8-14(9-7-12)18-17-19-15(11-22-17)16(21)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyBQCVGSNZEUQCIS-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.21
Rot. Bonds3

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

[2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 71818282) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID71818282
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCCCC3C)cs2)cc1
InChIInChI=1S/C17H21N3OS/c1-12-6-8-14(9-7-12)18-17-19-15(11-22-17)16(21)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyBQCVGSNZEUQCIS-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 71818282) is [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone is Cc1ccc(Nc2nc(C(=O)N3CCCCC3C)cs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is BQCVGSNZEUQCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-6-8-14(9-7-12)18-17-19-15(11-22-17)16(21)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
[2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 71818282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).