N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide

C25H23N5O2S2 — CID 84973058

IUPACN-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccnc5)s4)c3)sc2C1
InChIInChI=1S/C25H23N5O2S2/c1-30-11-9-19-22(15-30)34-25(28-19)29-23(31)17-5-2-4-16(12-17)13-27-24(32)21-8-7-20(33-21)18-6-3-10-26-14-18/h2-8,10,12,14H,9,11,13,15H2,1H3,(H,27,32)(H,28,29,31)
InChIKeyDTVKAWOSNDOAOP-UHFFFAOYSA-N
MW489.63 g/mol
LogP4.44
Rot. Bonds6

About N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide

N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 84973058) has the molecular formula C25H23N5O2S2 and a molecular weight of 489.63 g/mol. Its IUPAC name is N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide
PubChem CID84973058
Molecular FormulaC25H23N5O2S2
Molecular Weight489.63 g/mol
Exact Mass489.13
IUPAC NameN-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESCN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccnc5)s4)c3)sc2C1
InChIInChI=1S/C25H23N5O2S2/c1-30-11-9-19-22(15-30)34-25(28-19)29-23(31)17-5-2-4-16(12-17)13-27-24(32)21-8-7-20(33-21)18-6-3-10-26-14-18/h2-8,10,12,14H,9,11,13,15H2,1H3,(H,27,32)(H,28,29,31)
InChIKeyDTVKAWOSNDOAOP-UHFFFAOYSA-N
XLogP4.44
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide (CID 84973058) is N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide is CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccnc5)s4)c3)sc2C1.
What is the InChIKey of N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is DTVKAWOSNDOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S2/c1-30-11-9-19-22(15-30)34-25(28-19)29-23(31)17-5-2-4-16(12-17)13-27-24(32)21-8-7-20(33-21)18-6-3-10-26-14-18/h2-8,10,12,14H,9,11,13,15H2,1H3,(H,27,32)(H,28,29,31).
What are the key properties of N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide?
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 489.63 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 84973058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).