N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C20H19ClN4O3S2 — CID 155543248

IUPACN-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(Cl)s2)c1
InChIInChI=1S/C20H19ClN4O3S2/c1-25-8-7-14-15(10-25)29-20(23-14)19(27)22-13-4-3-11(28-2)9-12(13)18(26)24-17-6-5-16(21)30-17/h3-6,9H,7-8,10H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyIOGUMCBIYXKSIB-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.36
Rot. Bonds5

About N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 155543248) has the molecular formula C20H19ClN4O3S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID155543248
Molecular FormulaC20H19ClN4O3S2
Molecular Weight462.98 g/mol
Exact Mass462.06
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(Cl)s2)c1
InChIInChI=1S/C20H19ClN4O3S2/c1-25-8-7-14-15(10-25)29-20(23-14)19(27)22-13-4-3-11(28-2)9-12(13)18(26)24-17-6-5-16(21)30-17/h3-6,9H,7-8,10H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyIOGUMCBIYXKSIB-UHFFFAOYSA-N
XLogP4.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-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-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 155543248) is N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(Cl)s2)c1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is IOGUMCBIYXKSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S2/c1-25-8-7-14-15(10-25)29-20(23-14)19(27)22-13-4-3-11(28-2)9-12(13)18(26)24-17-6-5-16(21)30-17/h3-6,9H,7-8,10H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155543248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).