N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

C26H28N4O4S — CID 2536956

IUPACN-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1OCC
InChIInChI=1S/C26H28N4O4S/c1-4-33-22-12-11-19(13-23(22)34-5-2)27-24(31)16-29(3)15-20-14-25(32)30-21(17-35-26(30)28-20)18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3,(H,27,31)
InChIKeyPIQBDQDNIMOMRL-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.29
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 2536956) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
PubChem CID2536956
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1OCC
InChIInChI=1S/C26H28N4O4S/c1-4-33-22-12-11-19(13-23(22)34-5-2)27-24(31)16-29(3)15-20-14-25(32)30-21(17-35-26(30)28-20)18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3,(H,27,31)
InChIKeyPIQBDQDNIMOMRL-UHFFFAOYSA-N
XLogP4.29
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 135460604
1-[3-Methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-phenethylamino-1H-pyrazin-2-one
CID 23658492
N-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]acetamide
CID 135410958
2-[benzyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1082589
N-(1,3-benzodioxol-5-yl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2058790
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155329
(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 2450519
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3239791
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3240264
N-(1,3-benzodioxol-5-yl)-2-[[6-methyl-4-oxo-3-(phenylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
CID 3243779
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-(2-methoxyethyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3604857
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4047057

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 2536956) is N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is CCOc1ccc(NC(=O)CN(C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The InChIKey is PIQBDQDNIMOMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-4-33-22-12-11-19(13-23(22)34-5-2)27-24(31)16-29(3)15-20-14-25(32)30-21(17-35-26(30)28-20)18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3,(H,27,31).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 492.60 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[methyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 2536956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).