[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone

C19H23N3O2S — CID 55955315

IUPAC[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H23N3O2S/c1-12-4-6-14(7-5-12)17(23)15-8-10-22(11-9-15)19(24)16-13(2)21-25-18(16)20-3/h4-7,15,20H,8-11H2,1-3H3
InChIKeyVGFQRWNMHBPPQP-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.54
Rot. Bonds4

About [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone

[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 55955315) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID55955315
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H23N3O2S/c1-12-4-6-14(7-5-12)17(23)15-8-10-22(11-9-15)19(24)16-13(2)21-25-18(16)20-3/h4-7,15,20H,8-11H2,1-3H3
InChIKeyVGFQRWNMHBPPQP-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508
(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56812347
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824640
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 91644564
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075

Frequently Asked Questions

What is the IUPAC name of [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 55955315) is [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone is CNc1snc(C)c1C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is VGFQRWNMHBPPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-4-6-14(7-5-12)17(23)15-8-10-22(11-9-15)19(24)16-13(2)21-25-18(16)20-3/h4-7,15,20H,8-11H2,1-3H3.
What are the key properties of [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 357.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 55955315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).