(3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

C17H18N4O3S — CID 98276888

IUPAC(3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1=CSC2=NCCN12)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C17H18N4O3S/c22-14-3-1-12(2-4-14)21-9-11(7-15(21)23)16(24)19-8-13-10-25-17-18-5-6-20(13)17/h1-4,10-11,22H,5-9H2,(H,19,24)/t11-/m1/s1
InChIKeyJBTMZLATWNNFAB-LLVKDONJSA-N
MW358.42 g/mol
LogP1.12
Rot. Bonds4

About (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 98276888) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID98276888
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name(3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1=CSC2=NCCN12)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C17H18N4O3S/c22-14-3-1-12(2-4-14)21-9-11(7-15(21)23)16(24)19-8-13-10-25-17-18-5-6-20(13)17/h1-4,10-11,22H,5-9H2,(H,19,24)/t11-/m1/s1
InChIKeyJBTMZLATWNNFAB-LLVKDONJSA-N
XLogP1.12
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 74240649
(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 41468767
2-[[1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043433
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3159237
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 131930496
N-[2-(4-hydroxyphenyl)ethyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791056
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164
(3S)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 98303481
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 98276888) is (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCC1=CSC2=NCCN12)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1.
What is the InChIKey of (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JBTMZLATWNNFAB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-14-3-1-12(2-4-14)21-9-11(7-15(21)23)16(24)19-8-13-10-25-17-18-5-6-20(13)17/h1-4,10-11,22H,5-9H2,(H,19,24)/t11-/m1/s1.
What are the key properties of (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 98276888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).