3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide

C26H29N5O3S — CID 53198193

IUPAC3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(c3nc4c(s3)c(C)nn4-c3cccc(C)c3)CC2)c1
InChIInChI=1S/C26H29N5O3S/c1-16-6-5-7-20(12-16)31-24-23(17(2)29-31)35-26(28-24)30-10-8-19(9-11-30)27-25(32)18-13-21(33-3)15-22(14-18)34-4/h5-7,12-15,19H,8-11H2,1-4H3,(H,27,32)
InChIKeyHWQKGZGBJWGAED-UHFFFAOYSA-N
MW491.62 g/mol
LogP4.51
Rot. Bonds6

About 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide

3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide (PubChem CID 53198193) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
PubChem CID53198193
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(c3nc4c(s3)c(C)nn4-c3cccc(C)c3)CC2)c1
InChIInChI=1S/C26H29N5O3S/c1-16-6-5-7-20(12-16)31-24-23(17(2)29-31)35-26(28-24)30-10-8-19(9-11-30)27-25(32)18-13-21(33-3)15-22(14-18)34-4/h5-7,12-15,19H,8-11H2,1-4H3,(H,27,32)
InChIKeyHWQKGZGBJWGAED-UHFFFAOYSA-N
XLogP4.51
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
CID 53198202
4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide
CID 53198179
3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide
CID 53198136
(3R)-N-cyclohexyl-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090637
N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123135
1-[4-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]-2-phenylpropan-1-one
CID 53198393
N-[1-(4,5-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-methoxybenzamide
CID 75394886
(3S)-N-(2,4-dimethylphenyl)-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090617
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide
CID 53198079
2-hydroxy-2-(4-methoxyphenyl)-N-[1-(3-methylphenyl)piperidin-4-yl]acetamide
CID 118763996
1-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]ethanone
CID 53197358

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide (CID 53198193) is 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide is COc1cc(OC)cc(C(=O)NC2CCN(c3nc4c(s3)c(C)nn4-c3cccc(C)c3)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide?
The InChIKey is HWQKGZGBJWGAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-16-6-5-7-20(12-16)31-24-23(17(2)29-31)35-26(28-24)30-10-8-19(9-11-30)27-25(32)18-13-21(33-3)15-22(14-18)34-4/h5-7,12-15,19H,8-11H2,1-4H3,(H,27,32).
What are the key properties of 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide?
3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide has a molecular weight of 491.62 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 53198193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).