2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide

C17H24N4O2S2 — CID 133293266

IUPAC2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(CN2CCC(CNc3ncc(S(N)(=O)=O)s3)CC2)cc1
InChIInChI=1S/C17H24N4O2S2/c1-13-2-4-15(5-3-13)12-21-8-6-14(7-9-21)10-19-17-20-11-16(24-17)25(18,22)23/h2-5,11,14H,6-10,12H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyXEUZCOXRFSNLMC-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.42
Rot. Bonds6

About 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide

2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133293266) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133293266
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(CN2CCC(CNc3ncc(S(N)(=O)=O)s3)CC2)cc1
InChIInChI=1S/C17H24N4O2S2/c1-13-2-4-15(5-3-13)12-21-8-6-14(7-9-21)10-19-17-20-11-16(24-17)25(18,22)23/h2-5,11,14H,6-10,12H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyXEUZCOXRFSNLMC-UHFFFAOYSA-N
XLogP2.42
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide (CID 133293266) is 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide is Cc1ccc(CN2CCC(CNc3ncc(S(N)(=O)=O)s3)CC2)cc1.
What is the InChIKey of 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is XEUZCOXRFSNLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-13-2-4-15(5-3-13)12-21-8-6-14(7-9-21)10-19-17-20-11-16(24-17)25(18,22)23/h2-5,11,14H,6-10,12H2,1H3,(H,19,20)(H2,18,22,23).
What are the key properties of 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide?
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 380.54 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133293266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).