N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

C19H19ClN4O3S — CID 90525152

IUPACN-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)C1CC(=O)N(c3ccc(Cl)cc3)C1)CC2
InChIInChI=1S/C19H19ClN4O3S/c1-11(25)21-19-22-15-6-7-23(10-16(15)28-19)18(27)12-8-17(26)24(9-12)14-4-2-13(20)3-5-14/h2-5,12H,6-10H2,1H3,(H,21,22,25)
InChIKeyYFBHHOGUTSFEAP-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.69
Rot. Bonds3

About N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 90525152) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID90525152
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC NameN-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)C1CC(=O)N(c3ccc(Cl)cc3)C1)CC2
InChIInChI=1S/C19H19ClN4O3S/c1-11(25)21-19-22-15-6-7-23(10-16(15)28-19)18(27)12-8-17(26)24(9-12)14-4-2-13(20)3-5-14/h2-5,12H,6-10H2,1H3,(H,21,22,25)
InChIKeyYFBHHOGUTSFEAP-UHFFFAOYSA-N
XLogP2.69
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529413
1-(4-chlorophenyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90530792
N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 56765074
N-[5-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525484
1-(4-chlorophenyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90543646
N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526084
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 7337143
N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90530950
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
(3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33039214
methyl 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9391181

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 90525152) is N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)CN(C(=O)C1CC(=O)N(c3ccc(Cl)cc3)C1)CC2.
What is the InChIKey of N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is YFBHHOGUTSFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-11(25)21-19-22-15-6-7-23(10-16(15)28-19)18(27)12-8-17(26)24(9-12)14-4-2-13(20)3-5-14/h2-5,12H,6-10H2,1H3,(H,21,22,25).
What are the key properties of N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 418.91 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 90525152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).