5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide

C18H24N4O2S — CID 134077046

IUPAC5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide
SMILESCC(C)c1nc(CCNC(=O)C2CC(c3ccc(O)cc3)NN2)cs1
InChIInChI=1S/C18H24N4O2S/c1-11(2)18-20-13(10-25-18)7-8-19-17(24)16-9-15(21-22-16)12-3-5-14(23)6-4-12/h3-6,10-11,15-16,21-23H,7-9H2,1-2H3,(H,19,24)
InChIKeyFFPAZNACIRCWRY-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.24
Rot. Bonds6

About 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide

5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide (PubChem CID 134077046) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide
PubChem CID134077046
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide
SMILESCC(C)c1nc(CCNC(=O)C2CC(c3ccc(O)cc3)NN2)cs1
InChIInChI=1S/C18H24N4O2S/c1-11(2)18-20-13(10-25-18)7-8-19-17(24)16-9-15(21-22-16)12-3-5-14(23)6-4-12/h3-6,10-11,15-16,21-23H,7-9H2,1-2H3,(H,19,24)
InChIKeyFFPAZNACIRCWRY-UHFFFAOYSA-N
XLogP2.24
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119869426
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119869432
5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide
CID 134080644
5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide
CID 134077005
(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124682967
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 120940510
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
CID 134080022
(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70724211
(4R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95866555

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide (CID 134077046) is 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide is CC(C)c1nc(CCNC(=O)C2CC(c3ccc(O)cc3)NN2)cs1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide?
The InChIKey is FFPAZNACIRCWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-11(2)18-20-13(10-25-18)7-8-19-17(24)16-9-15(21-22-16)12-3-5-14(23)6-4-12/h3-6,10-11,15-16,21-23H,7-9H2,1-2H3,(H,19,24).
What are the key properties of 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide?
5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134077046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).