2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone

C11H17N3OS — CID 71641614

IUPAC2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
SMILESCN(CC(=O)c1nccs1)[C@@H]1CCCNC1
InChIInChI=1S/C11H17N3OS/c1-14(9-3-2-4-12-7-9)8-10(15)11-13-5-6-16-11/h5-6,9,12H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyGFRLQEDTSCHBBZ-SECBINFHSA-N
MW239.34 g/mol
LogP1.01
Rot. Bonds4

About 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone

2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 71641614) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
PubChem CID71641614
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
SMILESCN(CC(=O)c1nccs1)[C@@H]1CCCNC1
InChIInChI=1S/C11H17N3OS/c1-14(9-3-2-4-12-7-9)8-10(15)11-13-5-6-16-11/h5-6,9,12H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyGFRLQEDTSCHBBZ-SECBINFHSA-N
XLogP1.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone
CID 71641577
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
2-(piperidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645037
2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71644976
2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
CID 71645242
N-methyl-N-[(3S)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71641107
2-[ethyl(piperidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63636617
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
CID 71641602
2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71645013
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075
2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645049

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone (CID 71641614) is 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone is CN(CC(=O)c1nccs1)[C@@H]1CCCNC1.
What is the InChIKey of 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is GFRLQEDTSCHBBZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14(9-3-2-4-12-7-9)8-10(15)11-13-5-6-16-11/h5-6,9,12H,2-4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone?
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 71641614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).