2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide

C24H27N5O3S2 — CID 87277374

IUPAC2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCCCCc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)cc1
InChIInChI=1S/C24H27N5O3S2/c1-4-5-6-7-8-15-9-11-16(12-10-15)18-14-33-23(25-18)26-19(30)13-17-20-21(31)28(2)24(32)29(3)22(20)34-27-17/h9-12,14H,4-8,13H2,1-3H3,(H,25,26,30)
InChIKeyBPYHPPYDMWLZLB-UHFFFAOYSA-N
MW497.65 g/mol
LogP4.12
Rot. Bonds9

About 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide

2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 87277374) has the molecular formula C24H27N5O3S2 and a molecular weight of 497.65 g/mol. Its IUPAC name is 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID87277374
Molecular FormulaC24H27N5O3S2
Molecular Weight497.65 g/mol
Exact Mass497.16
IUPAC Name2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCCCCc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)cc1
InChIInChI=1S/C24H27N5O3S2/c1-4-5-6-7-8-15-9-11-16(12-10-15)18-14-33-23(25-18)26-19(30)13-17-20-21(31)28(2)24(32)29(3)22(20)34-27-17/h9-12,14H,4-8,13H2,1-3H3,(H,25,26,30)
InChIKeyBPYHPPYDMWLZLB-UHFFFAOYSA-N
XLogP4.12
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 88544122
2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 58046585
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)acetamide
CID 46928152
(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2369609
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(2,5,7-trimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl)acetamide
CID 46945436
3-[2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539161
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4855187
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 3292314
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide (CID 87277374) is 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide is CCCCCCc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)cc1.
What is the InChIKey of 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BPYHPPYDMWLZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S2/c1-4-5-6-7-8-15-9-11-16(12-10-15)18-14-33-23(25-18)26-19(30)13-17-20-21(31)28(2)24(32)29(3)22(20)34-27-17/h9-12,14H,4-8,13H2,1-3H3,(H,25,26,30).
What are the key properties of 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 497.65 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87277374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).