N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C22H23N5O3S — CID 46222033

IUPACN-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESC=CCn1nc(C(=O)N2CCOCC2)cc1-c1sc(NC(=O)c2ccccc2)nc1C
InChIInChI=1S/C22H23N5O3S/c1-3-9-27-18(14-17(25-27)21(29)26-10-12-30-13-11-26)19-15(2)23-22(31-19)24-20(28)16-7-5-4-6-8-16/h3-8,14H,1,9-13H2,2H3,(H,23,24,28)
InChIKeyBTXBGAVAJZOBKW-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.23
Rot. Bonds6

About N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 46222033) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID46222033
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESC=CCn1nc(C(=O)N2CCOCC2)cc1-c1sc(NC(=O)c2ccccc2)nc1C
InChIInChI=1S/C22H23N5O3S/c1-3-9-27-18(14-17(25-27)21(29)26-10-12-30-13-11-26)19-15(2)23-22(31-19)24-20(28)16-7-5-4-6-8-16/h3-8,14H,1,9-13H2,2H3,(H,23,24,28)
InChIKeyBTXBGAVAJZOBKW-UHFFFAOYSA-N
XLogP3.23
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2439795
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
N,1-dibenzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxamide
CID 46221409
N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide
CID 46959902
N-[4-(aminomethyl)thiazol-2-yl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide
CID 56643478
1-benzyl-3-tert-butyl-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649051
1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649052
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 71580328
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 155530174
Ethyl 1-benzyl-3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-5-carboxylate
CID 46220952
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enylpyrazole-3-carboxylate
CID 46220735
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylate
CID 46220737

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 46222033) is N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is C=CCn1nc(C(=O)N2CCOCC2)cc1-c1sc(NC(=O)c2ccccc2)nc1C.
What is the InChIKey of N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BTXBGAVAJZOBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-3-9-27-18(14-17(25-27)21(29)26-10-12-30-13-11-26)19-15(2)23-22(31-19)24-20(28)16-7-5-4-6-8-16/h3-8,14H,1,9-13H2,2H3,(H,23,24,28).
What are the key properties of N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 437.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46222033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).