2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide

C19H27N3O2S2 — CID 46976861

IUPAC2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NC(CCN2CCCCC2)c2ccccc2)s1
InChIInChI=1S/C19H27N3O2S2/c1-15-19(25-16(2)20-15)26(23,24)21-18(17-9-5-3-6-10-17)11-14-22-12-7-4-8-13-22/h3,5-6,9-10,18,21H,4,7-8,11-14H2,1-2H3
InChIKeyUKLSMMQQKXZBRD-UHFFFAOYSA-N
MW393.58 g/mol
LogP3.66
Rot. Bonds7

About 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide

2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 46976861) has the molecular formula C19H27N3O2S2 and a molecular weight of 393.58 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID46976861
Molecular FormulaC19H27N3O2S2
Molecular Weight393.58 g/mol
Exact Mass393.15
IUPAC Name2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NC(CCN2CCCCC2)c2ccccc2)s1
InChIInChI=1S/C19H27N3O2S2/c1-15-19(25-16(2)20-15)26(23,24)21-18(17-9-5-3-6-10-17)11-14-22-12-7-4-8-13-22/h3,5-6,9-10,18,21H,4,7-8,11-14H2,1-2H3
InChIKeyUKLSMMQQKXZBRD-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide (CID 46976861) is 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NC(CCN2CCCCC2)c2ccccc2)s1.
What is the InChIKey of 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is UKLSMMQQKXZBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S2/c1-15-19(25-16(2)20-15)26(23,24)21-18(17-9-5-3-6-10-17)11-14-22-12-7-4-8-13-22/h3,5-6,9-10,18,21H,4,7-8,11-14H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 393.58 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-phenyl-3-piperidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 46976861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).