2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

C21H19N5O3S — CID 44525325

IUPAC2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOCn1ncc2cc(-c3cccc(NC(=O)c4csc(NC(C)=O)n4)c3)ccc21
InChIInChI=1S/C21H19N5O3S/c1-13(27)23-21-25-18(11-30-21)20(28)24-17-5-3-4-14(9-17)15-6-7-19-16(8-15)10-22-26(19)12-29-2/h3-11H,12H2,1-2H3,(H,24,28)(H,23,25,27)
InChIKeyAAZIEJWIPISLGU-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.97
Rot. Bonds6

About 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 44525325) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID44525325
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOCn1ncc2cc(-c3cccc(NC(=O)c4csc(NC(C)=O)n4)c3)ccc21
InChIInChI=1S/C21H19N5O3S/c1-13(27)23-21-25-18(11-30-21)20(28)24-17-5-3-4-14(9-17)15-6-7-19-16(8-15)10-22-26(19)12-29-2/h3-11H,12H2,1-2H3,(H,24,28)(H,23,25,27)
InChIKeyAAZIEJWIPISLGU-UHFFFAOYSA-N
XLogP3.97
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 44525325) is 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is COCn1ncc2cc(-c3cccc(NC(=O)c4csc(NC(C)=O)n4)c3)ccc21.
What is the InChIKey of 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AAZIEJWIPISLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-13(27)23-21-25-18(11-30-21)20(28)24-17-5-3-4-14(9-17)15-6-7-19-16(8-15)10-22-26(19)12-29-2/h3-11H,12H2,1-2H3,(H,24,28)(H,23,25,27).
What are the key properties of 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-[1-(methoxymethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44525325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).