N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide

C12H10N4OS — CID 60735987

IUPACN-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1ccc2ncsc2c1
InChIInChI=1S/C12H10N4OS/c17-12(13-4-8-5-15-16-6-8)9-1-2-10-11(3-9)18-7-14-10/h1-3,5-7H,4H2,(H,13,17)(H,15,16)
InChIKeyHGBADMAYFULSMX-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.95
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide

N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60735987) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60735987
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1ccc2ncsc2c1
InChIInChI=1S/C12H10N4OS/c17-12(13-4-8-5-15-16-6-8)9-1-2-10-11(3-9)18-7-14-10/h1-3,5-7H,4H2,(H,13,17)(H,15,16)
InChIKeyHGBADMAYFULSMX-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pentylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 59192291
2-[(1,3-benzothiazole-6-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379878
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 59192170
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
(E)-3-[2-chloro-4-(1H-pyrazol-4-ylmethylcarbamoyl)phenyl]prop-2-enoic acid
CID 81293765
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide (CID 60735987) is N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide is O=C(NCc1cn[nH]c1)c1ccc2ncsc2c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is HGBADMAYFULSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c17-12(13-4-8-5-15-16-6-8)9-1-2-10-11(3-9)18-7-14-10/h1-3,5-7H,4H2,(H,13,17)(H,15,16).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide?
N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60735987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).