1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C18H23N3O2S — CID 46907708

IUPAC1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C18H23N3O2S/c1-12(2)23-15-5-3-4-14(10-15)16-11-20-18(24-16)21-8-6-13(7-9-21)17(19)22/h3-5,10-13H,6-9H2,1-2H3,(H2,19,22)
InChIKeyIMZSWXAOQBTCCW-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.30
Rot. Bonds5

About 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907708) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907708
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C18H23N3O2S/c1-12(2)23-15-5-3-4-14(10-15)16-11-20-18(24-16)21-8-6-13(7-9-21)17(19)22/h3-5,10-13H,6-9H2,1-2H3,(H2,19,22)
InChIKeyIMZSWXAOQBTCCW-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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Related Compounds

1-(5-(3,4-Dihydro-2H-Benzo[B][1,4]Dioxepin-7-yl)Thiazol-2-yl)Piperidine-4-Carboxylic Acid
CID 46907666
2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazole-5-carboxamide
CID 46880667
1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-N-phenylpiperidine-4-carboxamide
CID 46907686
ethyl 1-(5-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)thiazol-2-yl)piperidine-4-carboxylate
CID 46907687
1-[5-(2,2-Difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907695
1-[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907698
1-(5-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)thiazol-2-yl)piperidine-4-carboxamide
CID 46907699
1-[5-(1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907748
US10913733, Example 42
CID 137361278
2-(3,4-dimethoxyphenyl)-N-[5-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 156020218
2-(3,4-dimethoxyphenyl)-N-[5-[4-(4-piperidin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 156022269
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907708) is 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(C)Oc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1.
What is the InChIKey of 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is IMZSWXAOQBTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)23-15-5-3-4-14(10-15)16-11-20-18(24-16)21-8-6-13(7-9-21)17(19)22/h3-5,10-13H,6-9H2,1-2H3,(H2,19,22).
What are the key properties of 1-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(3-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-[5-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).