4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C21H22N4O3S2 — CID 5078395

IUPAC4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)C1
InChIInChI=1S/C21H22N4O3S2/c1-15-5-4-12-25(13-15)30(27,28)17-9-7-16(8-10-17)20(26)24-21-23-19(14-29-21)18-6-2-3-11-22-18/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,23,24,26)
InChIKeySIIMRTLNCSHSFX-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.88
Rot. Bonds5

About 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 5078395) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID5078395
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)C1
InChIInChI=1S/C21H22N4O3S2/c1-15-5-4-12-25(13-15)30(27,28)17-9-7-16(8-10-17)20(26)24-21-23-19(14-29-21)18-6-2-3-11-22-18/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,23,24,26)
InChIKeySIIMRTLNCSHSFX-UHFFFAOYSA-N
XLogP3.88
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide 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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073044
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4118645
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40817076
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 3624200
4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4226551
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40817062
4-(azepan-1-ylsulfonyl)-N-[4-[2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3536744
4-(3-methylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 3333979
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4228919
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
N-(1,3-benzothiazol-6-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16831300
1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 55339409

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 5078395) is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SIIMRTLNCSHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-15-5-4-12-25(13-15)30(27,28)17-9-7-16(8-10-17)20(26)24-21-23-19(14-29-21)18-6-2-3-11-22-18/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,23,24,26).
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 442.57 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5078395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).