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

C23H25N5OS — CID 53195746

IUPAC2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccccc4C)nc32)cc1
InChIInChI=1S/C23H25N5OS/c1-15-9-11-19(12-10-15)28-22-21(17(3)26-28)30-23(25-22)27(4)14-20(29)24-13-18-8-6-5-7-16(18)2/h5-12H,13-14H2,1-4H3,(H,24,29)
InChIKeySFOGRPPTESDFRY-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.16
Rot. Bonds6

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

2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 53195746) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID53195746
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccccc4C)nc32)cc1
InChIInChI=1S/C23H25N5OS/c1-15-9-11-19(12-10-15)28-22-21(17(3)26-28)30-23(25-22)27(4)14-20(29)24-13-18-8-6-5-7-16(18)2/h5-12H,13-14H2,1-4H3,(H,24,29)
InChIKeySFOGRPPTESDFRY-UHFFFAOYSA-N
XLogP4.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromophenyl)methyl]-2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 53195724
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
N-[(3-bromophenyl)methyl]-2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 53195745
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 53204274
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 53195788
N-[(4-methoxyphenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide
CID 53195758
2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 53204283
N-[(3,4-dimethylphenyl)methyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195670
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 53041259
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-methylbutyl)acetamide
CID 53195652
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide (CID 53195746) is 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccccc4C)nc32)cc1.
What is the InChIKey of 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is SFOGRPPTESDFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-15-9-11-19(12-10-15)28-22-21(17(3)26-28)30-23(25-22)27(4)14-20(29)24-13-18-8-6-5-7-16(18)2/h5-12H,13-14H2,1-4H3,(H,24,29).
What are the key properties of 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide?
2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 419.55 g/mol, XLogP of 4.16, 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-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53195746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).