N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide

C18H13N5O2S — CID 121464827

IUPACN-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide
SMILESNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C18H13N5O2S/c19-15(24)12-10-20-23(11-6-2-1-3-7-11)16(12)22-17(25)18-21-13-8-4-5-9-14(13)26-18/h1-10H,(H2,19,24)(H,22,25)
InChIKeyAZGXDDGDSYJYKR-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.83
Rot. Bonds4

About N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide

N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 121464827) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID121464827
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC NameN-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide
SMILESNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C18H13N5O2S/c19-15(24)12-10-20-23(11-6-2-1-3-7-11)16(12)22-17(25)18-21-13-8-4-5-9-14(13)26-18/h1-10H,(H2,19,24)(H,22,25)
InChIKeyAZGXDDGDSYJYKR-UHFFFAOYSA-N
XLogP2.83
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 143258587
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide
CID 139231633
ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4227534
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(4-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 7189855
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 108791910
N-(diaminomethylidene)-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 22097901

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide (CID 121464827) is N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide is NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1nc2ccccc2s1.
What is the InChIKey of N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is AZGXDDGDSYJYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c19-15(24)12-10-20-23(11-6-2-1-3-7-11)16(12)22-17(25)18-21-13-8-4-5-9-14(13)26-18/h1-10H,(H2,19,24)(H,22,25).
What are the key properties of N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide?
N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 121464827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).