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

C21H20ClN5O3S2 — CID 57399250

IUPACN-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3cc(C(N)=O)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C21H20ClN5O3S2/c1-27-7-6-13-16(10-27)32-21(26-13)20(30)25-14-8-11(18(23)28)2-3-12(14)9-24-19(29)15-4-5-17(22)31-15/h2-5,8H,6-7,9-10H2,1H3,(H2,23,28)(H,24,29)(H,25,30)
InChIKeyZZQBXAYZALXRFA-UHFFFAOYSA-N
MW490.01 g/mol
LogP3.13
Rot. Bonds6

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

N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 57399250) has the molecular formula C21H20ClN5O3S2 and a molecular weight of 490.01 g/mol. Its IUPAC name is N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID57399250
Molecular FormulaC21H20ClN5O3S2
Molecular Weight490.01 g/mol
Exact Mass489.07
IUPAC NameN-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3cc(C(N)=O)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C21H20ClN5O3S2/c1-27-7-6-13-16(10-27)32-21(26-13)20(30)25-14-8-11(18(23)28)2-3-12(14)9-24-19(29)15-4-5-17(22)31-15/h2-5,8H,6-7,9-10H2,1H3,(H2,23,28)(H,24,29)(H,25,30)
InChIKeyZZQBXAYZALXRFA-UHFFFAOYSA-N
XLogP3.13
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]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-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 57399250) is N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3cc(C(N)=O)ccc3CNC(=O)c3ccc(Cl)s3)sc2C1.
What is the InChIKey of N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is ZZQBXAYZALXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3S2/c1-27-7-6-13-16(10-27)32-21(26-13)20(30)25-14-8-11(18(23)28)2-3-12(14)9-24-19(29)15-4-5-17(22)31-15/h2-5,8H,6-7,9-10H2,1H3,(H2,23,28)(H,24,29)(H,25,30).
What are the key properties of N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 490.01 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-carbamoyl-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 57399250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).