(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide

C14H22N4O2S — CID 124569412

IUPAC(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1C(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C14H22N4O2S/c1-10(19)18-7-5-4-6-12(18)13(20)15-8-11-9-21-14(16-11)17(2)3/h9,12H,4-8H2,1-3H3,(H,15,20)/t12-/m1/s1
InChIKeyTVMKONXZUKQVLF-GFCCVEGCSA-N
MW310.42 g/mol
LogP1.23
Rot. Bonds4

About (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide

(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 124569412) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
PubChem CID124569412
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1C(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C14H22N4O2S/c1-10(19)18-7-5-4-6-12(18)13(20)15-8-11-9-21-14(16-11)17(2)3/h9,12H,4-8H2,1-3H3,(H,15,20)/t12-/m1/s1
InChIKeyTVMKONXZUKQVLF-GFCCVEGCSA-N
XLogP1.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide
CID 138997554
(2S)-1-benzyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91788449
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111619164
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide
CID 50828964
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide
CID 96581300
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide
CID 119044208
(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 124569912
(2R)-1-[2-(4-chlorophenyl)acetyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 20973336

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide (CID 124569412) is (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide is CC(=O)N1CCCC[C@@H]1C(=O)NCc1csc(N(C)C)n1.
What is the InChIKey of (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is TVMKONXZUKQVLF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(19)18-7-5-4-6-12(18)13(20)15-8-11-9-21-14(16-11)17(2)3/h9,12H,4-8H2,1-3H3,(H,15,20)/t12-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide?
(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 124569412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).