2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide

C17H21N3O3S — CID 117091607

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnc(N2CCCC2CO)s1
InChIInChI=1S/C17H21N3O3S/c21-11-13-2-1-9-20(13)17-19-10-15(24-17)16(23)18-8-7-12-3-5-14(22)6-4-12/h3-6,10,13,21-22H,1-2,7-9,11H2,(H,18,23)
InChIKeyUIYFLVPAQNLPEZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 117091607) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID117091607
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnc(N2CCCC2CO)s1
InChIInChI=1S/C17H21N3O3S/c21-11-13-2-1-9-20(13)17-19-10-15(24-17)16(23)18-8-7-12-3-5-14(22)6-4-12/h3-6,10,13,21-22H,1-2,7-9,11H2,(H,18,23)
InChIKeyUIYFLVPAQNLPEZ-UHFFFAOYSA-N
XLogP1.78
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117082113
4-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethyl]phenol
CID 117080479
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117088724
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117085541
N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 44772342
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74233096
[1-(5-amino-1,3-thiazol-2-yl)piperidin-2-yl]methanol
CID 102767808
[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146616891
2-(2-ethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260032
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 39310617
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 117091607) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide is O=C(NCCc1ccc(O)cc1)c1cnc(N2CCCC2CO)s1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UIYFLVPAQNLPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-11-13-2-1-9-20(13)17-19-10-15(24-17)16(23)18-8-7-12-3-5-14(22)6-4-12/h3-6,10,13,21-22H,1-2,7-9,11H2,(H,18,23).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117091607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).