4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide

C18H14N4O3S — CID 112804982

IUPAC4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3nn(-c4ccccc4)cc3O)nc12
InChIInChI=1S/C18H14N4O3S/c1-25-13-8-5-9-14-16(13)19-18(26-14)20-17(24)15-12(23)10-22(21-15)11-6-3-2-4-7-11/h2-10,23H,1H3,(H,19,20,24)
InChIKeyKCOVPSWVLRVDKG-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.45
Rot. Bonds4

About 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide

4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 112804982) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID112804982
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3nn(-c4ccccc4)cc3O)nc12
InChIInChI=1S/C18H14N4O3S/c1-25-13-8-5-9-14-16(13)19-18(26-14)20-17(24)15-12(23)10-22(21-15)11-6-3-2-4-7-11/h2-10,23H,1H3,(H,19,20,24)
InChIKeyKCOVPSWVLRVDKG-UHFFFAOYSA-N
XLogP3.45
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide (CID 112804982) is 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide is COc1cccc2sc(NC(=O)c3nn(-c4ccccc4)cc3O)nc12.
What is the InChIKey of 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is KCOVPSWVLRVDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-25-13-8-5-9-14-16(13)19-18(26-14)20-17(24)15-12(23)10-22(21-15)11-6-3-2-4-7-11/h2-10,23H,1H3,(H,19,20,24).
What are the key properties of 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide?
4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 112804982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).