N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide

C11H8N4OS — CID 39834270

IUPACN-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1ccc2scnc2c1
InChIInChI=1S/C11H8N4OS/c16-11(14-10-3-4-13-15-10)7-1-2-9-8(5-7)12-6-17-9/h1-6H,(H2,13,14,15,16)
InChIKeyYHQXYNPGPNWCCN-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.27
Rot. Bonds2

About N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide

N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide (PubChem CID 39834270) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide
PubChem CID39834270
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC NameN-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1ccc2scnc2c1
InChIInChI=1S/C11H8N4OS/c16-11(14-10-3-4-13-15-10)7-1-2-9-8(5-7)12-6-17-9/h1-6H,(H2,13,14,15,16)
InChIKeyYHQXYNPGPNWCCN-UHFFFAOYSA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103956763
N-(1H-pyrazol-5-yl)naphthalene-2-carboxamide
CID 61393106
2-N-hydroxy-7-N-(1H-pyrazol-5-yl)naphthalene-2,7-dicarboxamide
CID 25256604
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazole-5-carboxamide
CID 137196607
4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
CID 61394435
N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 112691395
4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
CID 61393919
3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 61393796
1-(1,3-benzothiazol-5-yl)-2-(methylamino)ethanone
CID 82492234

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide (CID 39834270) is N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide is O=C(Nc1ccn[nH]1)c1ccc2scnc2c1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is YHQXYNPGPNWCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c16-11(14-10-3-4-13-15-10)7-1-2-9-8(5-7)12-6-17-9/h1-6H,(H2,13,14,15,16).
What are the key properties of N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide?
N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 39834270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).