[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone

C12H17F2N3OS — CID 164632570

IUPAC[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
SMILESCCNc1nc(C(=O)N2CCC(F)(F)[C@@H](C)C2)cs1
InChIInChI=1S/C12H17F2N3OS/c1-3-15-11-16-9(7-19-11)10(18)17-5-4-12(13,14)8(2)6-17/h7-8H,3-6H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyDUSYWVLBLMIYGD-QMMMGPOBSA-N
MW289.35 g/mol
LogP2.69
Rot. Bonds3

About [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone

[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 164632570) has the molecular formula C12H17F2N3OS and a molecular weight of 289.35 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
PubChem CID164632570
Molecular FormulaC12H17F2N3OS
Molecular Weight289.35 g/mol
Exact Mass289.11
IUPAC Name[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
SMILESCCNc1nc(C(=O)N2CCC(F)(F)[C@@H](C)C2)cs1
InChIInChI=1S/C12H17F2N3OS/c1-3-15-11-16-9(7-19-11)10(18)17-5-4-12(13,14)8(2)6-17/h7-8H,3-6H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyDUSYWVLBLMIYGD-QMMMGPOBSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone
CID 166306966
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 136582996
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
CID 136516092
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]methanone
CID 72888682
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3S,4R)-4-hydroxy-3,4-dimethylpiperidin-1-yl]methanone
CID 133112216
2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
CID 130709348
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814
N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 106671767
(5-chloro-2,3-dihydroindol-1-yl)-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 136542867
N-[4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94023301
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774202

Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone (CID 164632570) is [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone is CCNc1nc(C(=O)N2CCC(F)(F)[C@@H](C)C2)cs1.
What is the InChIKey of [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is DUSYWVLBLMIYGD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17F2N3OS/c1-3-15-11-16-9(7-19-11)10(18)17-5-4-12(13,14)8(2)6-17/h7-8H,3-6H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 289.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 164632570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).