6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

C20H22N4O3S2 — CID 24569299

IUPAC6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1ccc(-c2csc(SCC(=O)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)n2)cc1
InChIInChI=1S/C20H22N4O3S2/c1-11(2)8-24-17(21)16(18(26)23-19(24)27)15(25)10-29-20-22-14(9-28-20)13-6-4-12(3)5-7-13/h4-7,9,11H,8,10,21H2,1-3H3,(H,23,26,27)
InChIKeyVQCLVZVBYQHJRE-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.18
Rot. Bonds7

About 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 24569299) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID24569299
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC Name6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1ccc(-c2csc(SCC(=O)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)n2)cc1
InChIInChI=1S/C20H22N4O3S2/c1-11(2)8-24-17(21)16(18(26)23-19(24)27)15(25)10-29-20-22-14(9-28-20)13-6-4-12(3)5-7-13/h4-7,9,11H,8,10,21H2,1-3H3,(H,23,26,27)
InChIKeyVQCLVZVBYQHJRE-UHFFFAOYSA-N
XLogP3.18
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-5-[2-(2,4-dimethylphenyl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42150829
6-amino-5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24570459
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42370683
6-amino-1-(2-methylpropyl)-5-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 46667648
6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24649365
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 2092522
N-[4-[2-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 42154347
6-amino-1-(2-methylpropyl)-5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 42456538
6-amino-5-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 36609416
6-amino-5-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24566226
N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4001168
6-amino-5-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24571463

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 24569299) is 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is Cc1ccc(-c2csc(SCC(=O)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)n2)cc1.
What is the InChIKey of 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is VQCLVZVBYQHJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-11(2)8-24-17(21)16(18(26)23-19(24)27)15(25)10-29-20-22-14(9-28-20)13-6-4-12(3)5-7-13/h4-7,9,11H,8,10,21H2,1-3H3,(H,23,26,27).
What are the key properties of 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 430.56 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 24569299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).