N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C19H16N4O2S — CID 164718034

IUPACN-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C19H16N4O2S/c1-25-15-7-6-13-12(9-20-23-13)17(15)11-4-5-14-16(8-11)26-19(21-14)22-18(24)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyAPKBTCFHINGWRT-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.20
Rot. Bonds4

About N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 164718034) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID164718034
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C19H16N4O2S/c1-25-15-7-6-13-12(9-20-23-13)17(15)11-4-5-14-16(8-11)26-19(21-14)22-18(24)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyAPKBTCFHINGWRT-UHFFFAOYSA-N
XLogP4.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 164718034) is N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is COc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=O)C3CC3)sc2c1.
What is the InChIKey of N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is APKBTCFHINGWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-25-15-7-6-13-12(9-20-23-13)17(15)11-4-5-14-16(8-11)26-19(21-14)22-18(24)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methoxy-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164718034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).