5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide

C17H19N3O2S — CID 100830855

IUPAC5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)c(OC(C)C)nn3C)s1
InChIInChI=1S/C17H19N3O2S/c1-10(2)22-17-13-9-12(6-7-14(13)20(4)19-17)18-16(21)15-8-5-11(3)23-15/h5-10H,1-4H3,(H,18,21)
InChIKeyMUOJTZXINLAOCP-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.98
Rot. Bonds4

About 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide

5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide (PubChem CID 100830855) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide
PubChem CID100830855
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)c(OC(C)C)nn3C)s1
InChIInChI=1S/C17H19N3O2S/c1-10(2)22-17-13-9-12(6-7-14(13)20(4)19-17)18-16(21)15-8-5-11(3)23-15/h5-10H,1-4H3,(H,18,21)
InChIKeyMUOJTZXINLAOCP-UHFFFAOYSA-N
XLogP3.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
CID 100830643
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)cyclopropanecarboxamide
CID 100830641
1-(1-methyl-3-propan-2-yloxyindazol-5-yl)-3-prop-2-enylthiourea
CID 171132985
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 43071036
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 30698931
N-(3-ethoxy-1-methylindazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 100830839
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide (CID 100830855) is 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(c2)c(OC(C)C)nn3C)s1.
What is the InChIKey of 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide?
The InChIKey is MUOJTZXINLAOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10(2)22-17-13-9-12(6-7-14(13)20(4)19-17)18-16(21)15-8-5-11(3)23-15/h5-10H,1-4H3,(H,18,21).
What are the key properties of 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide?
5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methyl-3-propan-2-yloxyindazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 100830855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).