[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C11H17N3OS — CID 63037207

IUPAC[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN(C)C1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C11H17N3OS/c1-13(2)9-3-5-14(6-4-9)11(15)10-7-16-8-12-10/h7-9H,3-6H2,1-2H3
InChIKeyOHBGRPGEZQGARS-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.31
Rot. Bonds2

About [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 63037207) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID63037207
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN(C)C1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C11H17N3OS/c1-13(2)9-3-5-14(6-4-9)11(15)10-7-16-8-12-10/h7-9H,3-6H2,1-2H3
InChIKeyOHBGRPGEZQGARS-UHFFFAOYSA-N
XLogP1.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126891440
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 115667248
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124939718
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824390
[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(1,3-thiazole-4-carbonyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97386807

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 63037207) is [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is CN(C)C1CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is OHBGRPGEZQGARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13(2)9-3-5-14(6-4-9)11(15)10-7-16-8-12-10/h7-9H,3-6H2,1-2H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 63037207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).