4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide

C26H27N5O2S — CID 127033253

IUPAC4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESCn1ccc(Nc2ccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)cc2)n1
InChIInChI=1S/C26H27N5O2S/c1-31-14-11-23(30-31)28-21-9-7-20(8-10-21)24(32)27-18-26(12-15-33-16-13-26)25-29-22(17-34-25)19-5-3-2-4-6-19/h2-11,14,17H,12-13,15-16,18H2,1H3,(H,27,32)(H,28,30)
InChIKeyMDYCZZLGEGKVGS-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.77
Rot. Bonds7

About 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide

4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (PubChem CID 127033253) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
PubChem CID127033253
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESCn1ccc(Nc2ccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)cc2)n1
InChIInChI=1S/C26H27N5O2S/c1-31-14-11-23(30-31)28-21-9-7-20(8-10-21)24(32)27-18-26(12-15-33-16-13-26)25-29-22(17-34-25)19-5-3-2-4-6-19/h2-11,14,17H,12-13,15-16,18H2,1H3,(H,27,32)(H,28,30)
InChIKeyMDYCZZLGEGKVGS-UHFFFAOYSA-N
XLogP4.77
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
CID 127031694
4-[(5-methylthiazol-2-yl)amino]-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127033254
4-imidazol-1-yl-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127032916
N-[4-(4-methyl-1,3-thiazol-2-yl)-2-phenylpyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 2123127
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
CID 2123128
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylbenzamide
CID 9120485
3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
CID 2123250
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127032615
N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 127033251
N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]-4-(2-pyridylamino)benzamide
CID 127033527
N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]-4-(1,3,4-thiadiazol-2-ylamino)benzamide
CID 127033536
N-(2-(2-phenylthiazol-4-yl)ethyl)-6-(1H-pyrazol-1-yl)pyridazine-3-carboxamide
CID 56765950

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (CID 127033253) is 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is Cn1ccc(Nc2ccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)cc2)n1.
What is the InChIKey of 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The InChIKey is MDYCZZLGEGKVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-31-14-11-23(30-31)28-21-9-7-20(8-10-21)24(32)27-18-26(12-15-33-16-13-26)25-29-22(17-34-25)19-5-3-2-4-6-19/h2-11,14,17H,12-13,15-16,18H2,1H3,(H,27,32)(H,28,30).
What are the key properties of 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-3-yl)amino]-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 127033253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).