1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone

C11H17N3OS — CID 115590354

IUPAC1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
SMILESO=C(CNCc1cscn1)N1CCCCC1
InChIInChI=1S/C11H17N3OS/c15-11(14-4-2-1-3-5-14)7-12-6-10-8-16-9-13-10/h8-9,12H,1-7H2
InChIKeyOTGCWOGGFSBDNT-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.25
Rot. Bonds4

About 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone

1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone (PubChem CID 115590354) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
PubChem CID115590354
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
SMILESO=C(CNCc1cscn1)N1CCCCC1
InChIInChI=1S/C11H17N3OS/c15-11(14-4-2-1-3-5-14)7-12-6-10-8-16-9-13-10/h8-9,12H,1-7H2
InChIKeyOTGCWOGGFSBDNT-UHFFFAOYSA-N
XLogP1.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
1-piperidin-1-yl-2-(thiadiazol-4-ylmethylamino)ethanone
CID 115587343
1-(azepan-1-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 60975399
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylethanone
CID 115586605
1-pyrrolidin-1-yl-2-(1,3-thiazol-5-ylmethylamino)ethanone
CID 115732052
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
CID 78921060
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 141149207
methyl 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylate
CID 118420996
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
CID 115608297
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 61206877

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone (CID 115590354) is 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone is O=C(CNCc1cscn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone?
The InChIKey is OTGCWOGGFSBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11(14-4-2-1-3-5-14)7-12-6-10-8-16-9-13-10/h8-9,12H,1-7H2.
What are the key properties of 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone?
1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone is sourced from PubChem (CID 115590354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).