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

C16H21N3OS2 — CID 119543267

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
SMILESCNCC1CCN(C(=O)c2sc(-c3cccs3)nc2C)CC1
InChIInChI=1S/C16H21N3OS2/c1-11-14(22-15(18-11)13-4-3-9-21-13)16(20)19-7-5-12(6-8-19)10-17-2/h3-4,9,12,17H,5-8,10H2,1-2H3
InChIKeyYSXWIOUBXSCXOA-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.25
Rot. Bonds4

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

[4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 119543267) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID119543267
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
SMILESCNCC1CCN(C(=O)c2sc(-c3cccs3)nc2C)CC1
InChIInChI=1S/C16H21N3OS2/c1-11-14(22-15(18-11)13-4-3-9-21-13)16(20)19-7-5-12(6-8-19)10-17-2/h3-4,9,12,17H,5-8,10H2,1-2H3
InChIKeyYSXWIOUBXSCXOA-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 119546783
[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 119517324
N,N-dimethyl-1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxamide
CID 134015544
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 9489977
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 80703277
2-methyl-1-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 18159950
2,2-dimethyl-1-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 134021640
tert-butyl 4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate
CID 46532994
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119539054
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 102738532
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 60599375
1-[4-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 27674640

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone (CID 119543267) is [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone is CNCC1CCN(C(=O)c2sc(-c3cccs3)nc2C)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is YSXWIOUBXSCXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-11-14(22-15(18-11)13-4-3-9-21-13)16(20)19-7-5-12(6-8-19)10-17-2/h3-4,9,12,17H,5-8,10H2,1-2H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone?
[4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 335.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 119543267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).