5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide

C16H18ClN3O2S — CID 71810018

IUPAC5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H18ClN3O2S/c1-22-14-3-2-11(17)10-13(14)15(21)19-12-4-7-20(8-5-12)16-18-6-9-23-16/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,19,21)
InChIKeySOBDCISYWMQTJV-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.20
Rot. Bonds4

About 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide

5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide (PubChem CID 71810018) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
PubChem CID71810018
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H18ClN3O2S/c1-22-14-3-2-11(17)10-13(14)15(21)19-12-4-7-20(8-5-12)16-18-6-9-23-16/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,19,21)
InChIKeySOBDCISYWMQTJV-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide (CID 71810018) is 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The InChIKey is SOBDCISYWMQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-22-14-3-2-11(17)10-13(14)15(21)19-12-4-7-20(8-5-12)16-18-6-9-23-16/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,19,21).
What are the key properties of 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide has a molecular weight of 351.86 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 71810018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).