N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide

C20H21N3O4S2 — CID 86967943

IUPACN-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cnc(-c2ccco2)s1
InChIInChI=1S/C20H21N3O4S2/c24-19(18-13-21-20(28-18)17-7-4-12-27-17)22-16-8-10-23(11-9-16)29(25,26)14-15-5-2-1-3-6-15/h1-7,12-13,16H,8-11,14H2,(H,22,24)
InChIKeyLITJUZAUUYMICG-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.13
Rot. Bonds6

About N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide

N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 86967943) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID86967943
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cnc(-c2ccco2)s1
InChIInChI=1S/C20H21N3O4S2/c24-19(18-13-21-20(28-18)17-7-4-12-27-17)22-16-8-10-23(11-9-16)29(25,26)14-15-5-2-1-3-6-15/h1-7,12-13,16H,8-11,14H2,(H,22,24)
InChIKeyLITJUZAUUYMICG-UHFFFAOYSA-N
XLogP3.13
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide
CID 154796881
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119623467
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide
CID 86967936
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650303
2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 126787696
2-(furan-2-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119446974
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
CID 75537873
2-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120577393
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
1-benzylsulfonyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 55721872

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide (CID 86967943) is N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide is O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cnc(-c2ccco2)s1.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LITJUZAUUYMICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c24-19(18-13-21-20(28-18)17-7-4-12-27-17)22-16-8-10-23(11-9-16)29(25,26)14-15-5-2-1-3-6-15/h1-7,12-13,16H,8-11,14H2,(H,22,24).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86967943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).