N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide

C18H25N3O4S2 — CID 55923041

IUPACN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)C1
InChIInChI=1S/C18H25N3O4S2/c1-4-8-27(23,24)21-7-5-6-14(10-21)17(22)20-18-19-16(11-26-18)15-9-12(2)25-13(15)3/h9,11,14H,4-8,10H2,1-3H3,(H,19,20,22)
InChIKeyUFELFBLVCMLNNM-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.41
Rot. Bonds6

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55923041) has the molecular formula C18H25N3O4S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55923041
Molecular FormulaC18H25N3O4S2
Molecular Weight411.55 g/mol
Exact Mass411.13
IUPAC NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)C1
InChIInChI=1S/C18H25N3O4S2/c1-4-8-27(23,24)21-7-5-6-14(10-21)17(22)20-18-19-16(11-26-18)15-9-12(2)25-13(15)3/h9,11,14H,4-8,10H2,1-3H3,(H,19,20,22)
InChIKeyUFELFBLVCMLNNM-UHFFFAOYSA-N
XLogP3.41
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755676
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55758579
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119300523
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55922002
N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide
CID 86998115
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 52713593
1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16862826
1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 43043803
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826109
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55923041) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)C1.
What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is UFELFBLVCMLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S2/c1-4-8-27(23,24)21-7-5-6-14(10-21)17(22)20-18-19-16(11-26-18)15-9-12(2)25-13(15)3/h9,11,14H,4-8,10H2,1-3H3,(H,19,20,22).
What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55923041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).