2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C24H27N5OS — CID 95112890

IUPAC2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)cc1
InChIInChI=1S/C24H27N5OS/c1-15-9-11-19(12-10-15)17(3)25-21(30)14-28(5)24-26-23-22(31-24)18(4)27-29(23)20-8-6-7-16(2)13-20/h6-13,17H,14H2,1-5H3,(H,25,30)/t17-/m0/s1
InChIKeyYXOBSJQYEBHWKP-KRWDZBQOSA-N
MW433.58 g/mol
LogP4.72
Rot. Bonds6

About 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 95112890) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID95112890
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)cc1
InChIInChI=1S/C24H27N5OS/c1-15-9-11-19(12-10-15)17(3)25-21(30)14-28(5)24-26-23-22(31-24)18(4)27-29(23)20-8-6-7-16(2)13-20/h6-13,17H,14H2,1-5H3,(H,25,30)/t17-/m0/s1
InChIKeyYXOBSJQYEBHWKP-KRWDZBQOSA-N
XLogP4.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 95112888
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 95112891
2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 53195827
N-[1-(4-methoxyphenyl)ethyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195673
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 53195788
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 53195813
2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 53195746
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 53195645
N-[(2,5-dimethoxyphenyl)methyl]-2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 53195743
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-methylbutyl)acetamide
CID 53195652
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]ethanone
CID 53195713
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 53041259

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 95112890) is 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)cc1.
What is the InChIKey of 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is YXOBSJQYEBHWKP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-15-9-11-19(12-10-15)17(3)25-21(30)14-28(5)24-26-23-22(31-24)18(4)27-29(23)20-8-6-7-16(2)13-20/h6-13,17H,14H2,1-5H3,(H,25,30)/t17-/m0/s1.
What are the key properties of 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 433.58 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 95112890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).