N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide

C17H21N3O3S — CID 51079385

IUPACN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C17H21N3O3S/c1-10-7-8-13(23-10)16-19-11(2)14(24-16)17(22)20-9-5-4-6-12(20)15(21)18-3/h7-8,12H,4-6,9H2,1-3H3,(H,18,21)
InChIKeyONAFZIPSIPOBOF-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.76
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide

N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide (PubChem CID 51079385) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide
PubChem CID51079385
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C17H21N3O3S/c1-10-7-8-13(23-10)16-19-11(2)14(24-16)17(22)20-9-5-4-6-12(20)15(21)18-3/h7-8,12H,4-6,9H2,1-3H3,(H,18,21)
InChIKeyONAFZIPSIPOBOF-UHFFFAOYSA-N
XLogP2.76
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-4-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
CID 16188734
4-[(2,4-Dimethyl(1,3-thiazol-5-yl))carbonyl]-3-hydroxy-5-(5-methyl(2-furyl))-1-(2-morpholin-4-ylethyl)-3-pyrrolin-2-one
CID 664130
N-[[5-[2-[[N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 44275162
N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10826541
N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 36935480
N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 36956866
N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide
CID 36956955
N-(2-acetamidoethyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 37658656
2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 38416914
2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 39975237
1-[4-[2-(Furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39975861
Azocan-1-yl-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 40001672

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide (CID 51079385) is N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1sc(-c2ccc(C)o2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide?
The InChIKey is ONAFZIPSIPOBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10-7-8-13(23-10)16-19-11(2)14(24-16)17(22)20-9-5-4-6-12(20)15(21)18-3/h7-8,12H,4-6,9H2,1-3H3,(H,18,21).
What are the key properties of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide?
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 51079385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).