7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole

C19H17N5S — CID 167848377

IUPAC7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole
SMILESCc1cccc2nc(N3CCc4c(nnn4-c4ccccc4)C3)sc12
InChIInChI=1S/C19H17N5S/c1-13-6-5-9-15-18(13)25-19(20-15)23-11-10-17-16(12-23)21-22-24(17)14-7-3-2-4-8-14/h2-9H,10-12H2,1H3
InChIKeyOJNAJGDQRUDBCK-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.75
Rot. Bonds2

About 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole

7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole (PubChem CID 167848377) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole
PubChem CID167848377
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole
SMILESCc1cccc2nc(N3CCc4c(nnn4-c4ccccc4)C3)sc12
InChIInChI=1S/C19H17N5S/c1-13-6-5-9-15-18(13)25-19(20-15)23-11-10-17-16(12-23)21-22-24(17)14-7-3-2-4-8-14/h2-9H,10-12H2,1H3
InChIKeyOJNAJGDQRUDBCK-UHFFFAOYSA-N
XLogP3.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole?
The IUPAC name of 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole (CID 167848377) is 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole?
The canonical SMILES for 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole is Cc1cccc2nc(N3CCc4c(nnn4-c4ccccc4)C3)sc12.
What is the InChIKey of 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole?
The InChIKey is OJNAJGDQRUDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-13-6-5-9-15-18(13)25-19(20-15)23-11-10-17-16(12-23)21-22-24(17)14-7-3-2-4-8-14/h2-9H,10-12H2,1H3.
What are the key properties of 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole?
7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole has a molecular weight of 347.45 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole is sourced from PubChem (CID 167848377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).