4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide

C19H22N4O2S — CID 129251191

IUPAC4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(C(N)=O)cc3)CC2)s1
InChIInChI=1S/C19H22N4O2S/c1-13(24)22-19-21-11-17(26-19)12-23-8-6-15(7-9-23)10-14-2-4-16(5-3-14)18(20)25/h2-5,10-11H,6-9,12H2,1H3,(H2,20,25)(H,21,22,24)
InChIKeyJBGRZHYNUVYNBE-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.88
Rot. Bonds5

About 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide

4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide (PubChem CID 129251191) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide.

Molecular Properties

Compound Name4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide
PubChem CID129251191
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(C(N)=O)cc3)CC2)s1
InChIInChI=1S/C19H22N4O2S/c1-13(24)22-19-21-11-17(26-19)12-23-8-6-15(7-9-23)10-14-2-4-16(5-3-14)18(20)25/h2-5,10-11H,6-9,12H2,1H3,(H2,20,25)(H,21,22,24)
InChIKeyJBGRZHYNUVYNBE-UHFFFAOYSA-N
XLogP2.88
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide?
The IUPAC name of 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide (CID 129251191) is 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide.
What is the SMILES notation for 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide?
The canonical SMILES for 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(C(N)=O)cc3)CC2)s1.
What is the InChIKey of 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide?
The InChIKey is JBGRZHYNUVYNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13(24)22-19-21-11-17(26-19)12-23-8-6-15(7-9-23)10-14-2-4-16(5-3-14)18(20)25/h2-5,10-11H,6-9,12H2,1H3,(H2,20,25)(H,21,22,24).
What are the key properties of 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide?
4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide has a molecular weight of 370.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]methyl]benzamide is sourced from PubChem (CID 129251191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).