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

C18H23N3OS — CID 70762769

IUPAC[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCCC(c3cccc(C)c3)C2)s1
InChIInChI=1S/C18H23N3OS/c1-12-6-4-7-14(10-12)15-8-5-9-21(11-15)17(22)16-13(2)20-18(19-3)23-16/h4,6-7,10,15H,5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyDDYTUIXGXHAIGV-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.82
Rot. Bonds3

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

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone (PubChem CID 70762769) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
PubChem CID70762769
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCCC(c3cccc(C)c3)C2)s1
InChIInChI=1S/C18H23N3OS/c1-12-6-4-7-14(10-12)15-8-5-9-21(11-15)17(22)16-13(2)20-18(19-3)23-16/h4,6-7,10,15H,5,8-9,11H2,1-3H3,(H,19,20)
InChIKeyDDYTUIXGXHAIGV-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methylphenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone;hydrate
CID 174491294
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 70711688
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56738871
2-[1-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]benzoic acid
CID 56912530
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897133
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone (CID 70762769) is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone is CNc1nc(C)c(C(=O)N2CCCC(c3cccc(C)c3)C2)s1.
What is the InChIKey of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is DDYTUIXGXHAIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-6-4-7-14(10-12)15-8-5-9-21(11-15)17(22)16-13(2)20-18(19-3)23-16/h4,6-7,10,15H,5,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone?
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70762769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).