5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole

C17H11N5S — CID 140798453

IUPAC5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole
SMILES[C-]#[N+]c1cnc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)s1
InChIInChI=1S/C17H11N5S/c1-11-4-3-5-15(21-11)22-14-8-12(6-7-13(14)9-20-22)17-19-10-16(18-2)23-17/h3-10H,1H3
InChIKeyGCFYWHIQPSCBRV-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.40
Rot. Bonds2

About 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole

5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole (PubChem CID 140798453) has the molecular formula C17H11N5S and a molecular weight of 317.38 g/mol. Its IUPAC name is 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole
PubChem CID140798453
Molecular FormulaC17H11N5S
Molecular Weight317.38 g/mol
Exact Mass317.07
IUPAC Name5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole
SMILES[C-]#[N+]c1cnc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)s1
InChIInChI=1S/C17H11N5S/c1-11-4-3-5-15(21-11)22-14-8-12(6-7-13(14)9-20-22)17-19-10-16(18-2)23-17/h3-10H,1H3
InChIKeyGCFYWHIQPSCBRV-UHFFFAOYSA-N
XLogP4.40
TPSA47.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidin-4-yl]methanimine
CID 130249629
N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methanamine
CID 154826505
2-(aminomethyl)-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-4-amine
CID 118664082
6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
CID 118664464
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
CID 118664991
N-methyl-N-[5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3-pyridinyl]acetamide
CID 118664686
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,2,3,4-tetrahydroisoquinoline
CID 118664655
5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 118664662
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 118663870
3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-5-nitro-1H-pyridin-4-one
CID 118663819

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole?
The IUPAC name of 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole (CID 140798453) is 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole.
What is the SMILES notation for 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole?
The canonical SMILES for 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole is [C-]#[N+]c1cnc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)s1.
What is the InChIKey of 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole?
The InChIKey is GCFYWHIQPSCBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5S/c1-11-4-3-5-15(21-11)22-14-8-12(6-7-13(14)9-20-22)17-19-10-16(18-2)23-17/h3-10H,1H3.
What are the key properties of 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole?
5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole has a molecular weight of 317.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-1,3-thiazole is sourced from PubChem (CID 140798453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).