2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 119453009

IUPAC2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)NC3CCNC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(2)22-14-5-3-12(4-6-14)17-20-15(10-23-17)16(21)19-13-7-8-18-9-13/h3-6,10-11,13,18H,7-9H2,1-2H3,(H,19,21)
InChIKeyWHSYNIMQTUDXPL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 119453009) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID119453009
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)NC3CCNC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(2)22-14-5-3-12(4-6-14)17-20-15(10-23-17)16(21)19-13-7-8-18-9-13/h3-6,10-11,13,18H,7-9H2,1-2H3,(H,19,21)
InChIKeyWHSYNIMQTUDXPL-UHFFFAOYSA-N
XLogP2.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119448074
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119452998
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 17490161
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 78858936

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (CID 119453009) is 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(-c2nc(C(=O)NC3CCNC3)cs2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WHSYNIMQTUDXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)22-14-5-3-12(4-6-14)17-20-15(10-23-17)16(21)19-13-7-8-18-9-13/h3-6,10-11,13,18H,7-9H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119453009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).