N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

C19H16N4O2S — CID 90354569

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3s2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H16N4O2S/c1-25-16-8-12(6-7-14(16)13-9-21-22-10-13)19(24)20-11-18-23-15-4-2-3-5-17(15)26-18/h2-10H,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyRXSVZGCOKLDDER-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.62
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 90354569) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID90354569
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3s2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H16N4O2S/c1-25-16-8-12(6-7-14(16)13-9-21-22-10-13)19(24)20-11-18-23-15-4-2-3-5-17(15)26-18/h2-10H,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyRXSVZGCOKLDDER-UHFFFAOYSA-N
XLogP3.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 90354569) is N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)NCc2nc3ccccc3s2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is RXSVZGCOKLDDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-25-16-8-12(6-7-14(16)13-9-21-22-10-13)19(24)20-11-18-23-15-4-2-3-5-17(15)26-18/h2-10H,11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 364.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 90354569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).