2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide

C24H23N5O2S — CID 146021621

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CC4CSc5nc(C)c(C)c(=O)n54)cc3)[nH]c2c1
InChIInChI=1S/C24H23N5O2S/c1-13-4-9-19-20(10-13)28-22(27-19)16-5-7-17(8-6-16)26-21(30)11-18-12-32-24-25-15(3)14(2)23(31)29(18)24/h4-10,18H,11-12H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyCJZMDPNRFLXBLK-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.39
Rot. Bonds4

About 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide (PubChem CID 146021621) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
PubChem CID146021621
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CC4CSc5nc(C)c(C)c(=O)n54)cc3)[nH]c2c1
InChIInChI=1S/C24H23N5O2S/c1-13-4-9-19-20(10-13)28-22(27-19)16-5-7-17(8-6-16)26-21(30)11-18-12-32-24-25-15(3)14(2)23(31)29(18)24/h4-10,18H,11-12H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyCJZMDPNRFLXBLK-UHFFFAOYSA-N
XLogP4.39
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]benzamide
CID 16869144
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 16869109
2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 51530431
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
N-(2,4-dimethoxyphenyl)-2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16869096
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 16869253
N-(4-ethylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867941

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide (CID 146021621) is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)CC4CSc5nc(C)c(C)c(=O)n54)cc3)[nH]c2c1.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide?
The InChIKey is CJZMDPNRFLXBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-13-4-9-19-20(10-13)28-22(27-19)16-5-7-17(8-6-16)26-21(30)11-18-12-32-24-25-15(3)14(2)23(31)29(18)24/h4-10,18H,11-12H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide has a molecular weight of 445.55 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 146021621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).