N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C20H21ClN4O2S2 — CID 60525022

IUPACN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)cc2s1
InChIInChI=1S/C20H21ClN4O2S2/c1-3-24(4-2)20-23-19-16(29-20)11-15(28-19)18(27)22-14-10-12(7-8-13(14)21)25-9-5-6-17(25)26/h7-8,10-11H,3-6,9H2,1-2H3,(H,22,27)
InChIKeyNHVHEZDUGKQTHK-UHFFFAOYSA-N
MW449.00 g/mol
LogP5.24
Rot. Bonds6

About N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 60525022) has the molecular formula C20H21ClN4O2S2 and a molecular weight of 449.00 g/mol. Its IUPAC name is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID60525022
Molecular FormulaC20H21ClN4O2S2
Molecular Weight449.00 g/mol
Exact Mass448.08
IUPAC NameN-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)cc2s1
InChIInChI=1S/C20H21ClN4O2S2/c1-3-24(4-2)20-23-19-16(29-20)11-15(28-19)18(27)22-14-10-12(7-8-13(14)21)25-9-5-6-17(25)26/h7-8,10-11H,3-6,9H2,1-2H3,(H,22,27)
InChIKeyNHVHEZDUGKQTHK-UHFFFAOYSA-N
XLogP5.24
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.00
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
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CID 60525036
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N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(dimethylamino)azetidine-1-carboxamide
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3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 60525022) is N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)Nc3cc(N4CCCC4=O)ccc3Cl)cc2s1.
What is the InChIKey of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is NHVHEZDUGKQTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S2/c1-3-24(4-2)20-23-19-16(29-20)11-15(28-19)18(27)22-14-10-12(7-8-13(14)21)25-9-5-6-17(25)26/h7-8,10-11H,3-6,9H2,1-2H3,(H,22,27).
What are the key properties of N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 449.00 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 60525022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).