(2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone

C17H20N2OS — CID 123296650

IUPAC(2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1ccc(-c2nccs2)c(C(=O)N2CCCCC2C)c1
InChIInChI=1S/C17H20N2OS/c1-12-6-7-14(16-18-8-10-21-16)15(11-12)17(20)19-9-4-3-5-13(19)2/h6-8,10-11,13H,3-5,9H2,1-2H3
InChIKeyVXINLRTXSDHWIR-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.13
Rot. Bonds2

About (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone

(2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 123296650) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID123296650
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1ccc(-c2nccs2)c(C(=O)N2CCCCC2C)c1
InChIInChI=1S/C17H20N2OS/c1-12-6-7-14(16-18-8-10-21-16)15(11-12)17(20)19-9-4-3-5-13(19)2/h6-8,10-11,13H,3-5,9H2,1-2H3
InChIKeyVXINLRTXSDHWIR-UHFFFAOYSA-N
XLogP4.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503257
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44822989
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone (CID 123296650) is (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone is Cc1ccc(-c2nccs2)c(C(=O)N2CCCCC2C)c1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is VXINLRTXSDHWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-6-7-14(16-18-8-10-21-16)15(11-12)17(20)19-9-4-3-5-13(19)2/h6-8,10-11,13H,3-5,9H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone?
(2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 300.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 123296650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).