4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide

C21H21N5O2S — CID 27378409

IUPAC4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCOc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C21H21N5O2S/c1-13-11-19(23-20(27)14-5-7-15(8-6-14)25(2)3)26(24-13)21-22-17-10-9-16(28-4)12-18(17)29-21/h5-12H,1-4H3,(H,23,27)
InChIKeyIPVMOTNWJLOKSH-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.12
Rot. Bonds5

About 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide

4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 27378409) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
PubChem CID27378409
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCOc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C21H21N5O2S/c1-13-11-19(23-20(27)14-5-7-15(8-6-14)25(2)3)26(24-13)21-22-17-10-9-16(28-4)12-18(17)29-21/h5-12H,1-4H3,(H,23,27)
InChIKeyIPVMOTNWJLOKSH-UHFFFAOYSA-N
XLogP4.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108755100
2-fluoro-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 27378406
4-(4-chlorophenyl)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 108731585
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methylphenoxy)propanamide
CID 108811254
2-chloro-6-fluoro-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 108731525
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108810627
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-5-nitrofuran-2-carboxamide
CID 27378401
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide
CID 108731523
(Z)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 108755058
1-(3-chlorophenyl)-3-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]urea
CID 108781258
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782664
4-(dimethylamino)-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953148

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide (CID 27378409) is 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide is COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc(N(C)C)cc3)sc2c1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is IPVMOTNWJLOKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-13-11-19(23-20(27)14-5-7-15(8-6-14)25(2)3)26(24-13)21-22-17-10-9-16(28-4)12-18(17)29-21/h5-12H,1-4H3,(H,23,27).
What are the key properties of 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide?
4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 407.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 27378409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).