1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C16H25N3O2S — CID 47992212

IUPAC1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)sc1C
InChIInChI=1S/C16H25N3O2S/c1-10-11(2)22-15(17-10)18-13(20)12-7-6-8-19(9-12)14(21)16(3,4)5/h12H,6-9H2,1-5H3,(H,17,18,20)
InChIKeyGWTJKIDYJFTPTD-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.98
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 47992212) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID47992212
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)sc1C
InChIInChI=1S/C16H25N3O2S/c1-10-11(2)22-15(17-10)18-13(20)12-7-6-8-19(9-12)14(21)16(3,4)5/h12H,6-9H2,1-5H3,(H,17,18,20)
InChIKeyGWTJKIDYJFTPTD-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44456030
N-[4-Methyl-5-(piperidine-1-carbonyl)-thiazol-2-yl]-propionamide
CID 644927
Cyclopropanecarboxylic acid [4-methyl-5-(piperidine-1-carbonyl)-thiazol-2-yl]-amide
CID 654647
1-[3-[(4,5-Dimethyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide
CID 48779532
3-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 53566888
1-(cyclopropanecarbonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 53580307
Methyl 3-[(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 53608070
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-2-oxopiperidin-3-yl]urea
CID 128605410
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42955710
2,2,2-Trifluoroethyl 4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 24586904
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 45824861
1-(2,2-dimethylpropanoyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 47999529

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 47992212) is 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)sc1C.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is GWTJKIDYJFTPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-10-11(2)22-15(17-10)18-13(20)12-7-6-8-19(9-12)14(21)16(3,4)5/h12H,6-9H2,1-5H3,(H,17,18,20).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47992212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).