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

C22H23N5O3S — CID 155533619

IUPACN-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-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(C)cn2)c1
InChIInChI=1S/C22H23N5O3S/c1-13-4-7-19(23-11-13)26-20(28)15-10-14(30-3)5-6-16(15)24-21(29)22-25-17-8-9-27(2)12-18(17)31-22/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,29)(H,23,26,28)
InChIKeyOOSFXPQKGFCWRC-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.35
Rot. Bonds5

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

N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 155533619) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID155533619
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-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(C)cn2)c1
InChIInChI=1S/C22H23N5O3S/c1-13-4-7-19(23-11-13)26-20(28)15-10-14(30-3)5-6-16(15)24-21(29)22-25-17-8-9-27(2)12-18(17)31-22/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,29)(H,23,26,28)
InChIKeyOOSFXPQKGFCWRC-UHFFFAOYSA-N
XLogP3.35
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 155533619) is N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-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(C)cn2)c1.
What is the InChIKey of N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is OOSFXPQKGFCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-13-4-7-19(23-11-13)26-20(28)15-10-14(30-3)5-6-16(15)24-21(29)22-25-17-8-9-27(2)12-18(17)31-22/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,29)(H,23,26,28).
What are the key properties of N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155533619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).