1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C18H23N3O2S — CID 46907689

IUPAC1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)Oc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C18H23N3O2S/c1-12(2)23-15-5-3-13(4-6-15)16-11-24-18(20-16)21-9-7-14(8-10-21)17(19)22/h3-6,11-12,14H,7-10H2,1-2H3,(H2,19,22)
InChIKeyLORWWPLQPMGJSR-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.30
Rot. Bonds5

About 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907689) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907689
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)Oc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C18H23N3O2S/c1-12(2)23-15-5-3-13(4-6-15)16-11-24-18(20-16)21-9-7-14(8-10-21)17(19)22/h3-6,11-12,14H,7-10H2,1-2H3,(H2,19,22)
InChIKeyLORWWPLQPMGJSR-UHFFFAOYSA-N
XLogP3.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907689) is 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(C)Oc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1.
What is the InChIKey of 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is LORWWPLQPMGJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)23-15-5-3-13(4-6-15)16-11-24-18(20-16)21-9-7-14(8-10-21)17(19)22/h3-6,11-12,14H,7-10H2,1-2H3,(H2,19,22).
What are the key properties of 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).