N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C25H25ClN6O4S2 — CID 25051120

IUPACN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3c(CNC(=O)c4ccc(Cl)s4)cccc3C(=O)N3CCNC(=O)C3)sc2C1
InChIInChI=1S/C25H25ClN6O4S2/c1-31-9-7-16-18(12-31)38-24(29-16)23(35)30-21-14(11-28-22(34)17-5-6-19(26)37-17)3-2-4-15(21)25(36)32-10-8-27-20(33)13-32/h2-6H,7-13H2,1H3,(H,27,33)(H,28,34)(H,30,35)
InChIKeyQWYUUFRXIUPVPV-UHFFFAOYSA-N
MW573.10 g/mol
LogP2.60
Rot. Bonds6

About N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 25051120) has the molecular formula C25H25ClN6O4S2 and a molecular weight of 573.10 g/mol. Its IUPAC name is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID25051120
Molecular FormulaC25H25ClN6O4S2
Molecular Weight573.10 g/mol
Exact Mass572.11
IUPAC NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3c(CNC(=O)c4ccc(Cl)s4)cccc3C(=O)N3CCNC(=O)C3)sc2C1
InChIInChI=1S/C25H25ClN6O4S2/c1-31-9-7-16-18(12-31)38-24(29-16)23(35)30-21-14(11-28-22(34)17-5-6-19(26)37-17)3-2-4-15(21)25(36)32-10-8-27-20(33)13-32/h2-6H,7-13H2,1H3,(H,27,33)(H,28,34)(H,30,35)
InChIKeyQWYUUFRXIUPVPV-UHFFFAOYSA-N
XLogP2.60
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.10
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 25051120) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3c(CNC(=O)c4ccc(Cl)s4)cccc3C(=O)N3CCNC(=O)C3)sc2C1.
What is the InChIKey of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is QWYUUFRXIUPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O4S2/c1-31-9-7-16-18(12-31)38-24(29-16)23(35)30-21-14(11-28-22(34)17-5-6-19(26)37-17)3-2-4-15(21)25(36)32-10-8-27-20(33)13-32/h2-6H,7-13H2,1H3,(H,27,33)(H,28,34)(H,30,35).
What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 573.10 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(3-oxopiperazine-1-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 25051120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).