1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C16H19ClN2OS2 — CID 110114553

IUPAC1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCC1(c2ncc(Cl)s2)CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C16H19ClN2OS2/c1-16(15-18-11-13(17)22-15)6-8-19(9-7-16)14(20)5-4-12-3-2-10-21-12/h2-3,10-11H,4-9H2,1H3
InChIKeyXIQFGQRGFIOMMS-UHFFFAOYSA-N
MW354.93 g/mol
LogP4.37
Rot. Bonds4

About 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110114553) has the molecular formula C16H19ClN2OS2 and a molecular weight of 354.93 g/mol. Its IUPAC name is 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110114553
Molecular FormulaC16H19ClN2OS2
Molecular Weight354.93 g/mol
Exact Mass354.06
IUPAC Name1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCC1(c2ncc(Cl)s2)CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C16H19ClN2OS2/c1-16(15-18-11-13(17)22-15)6-8-19(9-7-16)14(20)5-4-12-3-2-10-21-12/h2-3,10-11H,4-9H2,1H3
InChIKeyXIQFGQRGFIOMMS-UHFFFAOYSA-N
XLogP4.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.93
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 110114553) is 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one is CC1(c2ncc(Cl)s2)CCN(C(=O)CCc2cccs2)CC1.
What is the InChIKey of 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is XIQFGQRGFIOMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS2/c1-16(15-18-11-13(17)22-15)6-8-19(9-7-16)14(20)5-4-12-3-2-10-21-12/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 354.93 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110114553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).