3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

C20H23N5O3S — CID 53167701

IUPAC3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
SMILESCc1ccccc1N1CCN(C(=O)c2snc3c(=O)n(C(C)C)c(=O)[nH]c23)CC1
InChIInChI=1S/C20H23N5O3S/c1-12(2)25-18(26)16-15(21-20(25)28)17(29-22-16)19(27)24-10-8-23(9-11-24)14-7-5-4-6-13(14)3/h4-7,12H,8-11H2,1-3H3,(H,21,28)
InChIKeyLFPWMXXFAWQIPJ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.00
Rot. Bonds3

About 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione (PubChem CID 53167701) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
PubChem CID53167701
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
SMILESCc1ccccc1N1CCN(C(=O)c2snc3c(=O)n(C(C)C)c(=O)[nH]c23)CC1
InChIInChI=1S/C20H23N5O3S/c1-12(2)25-18(26)16-15(21-20(25)28)17(29-22-16)19(27)24-10-8-23(9-11-24)14-7-5-4-6-13(14)3/h4-7,12H,8-11H2,1-3H3,(H,21,28)
InChIKeyLFPWMXXFAWQIPJ-UHFFFAOYSA-N
XLogP2.00
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CID 53167635
(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 60778169
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9153300
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70770639
(3-amino-1H-pyrazol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 64523270
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-(2-methylpropyl)-4,7a-dihydro-1H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CID 75270820
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The IUPAC name of 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione (CID 53167701) is 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione.
What is the SMILES notation for 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The canonical SMILES for 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione is Cc1ccccc1N1CCN(C(=O)c2snc3c(=O)n(C(C)C)c(=O)[nH]c23)CC1.
What is the InChIKey of 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The InChIKey is LFPWMXXFAWQIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-12(2)25-18(26)16-15(21-20(25)28)17(29-22-16)19(27)24-10-8-23(9-11-24)14-7-5-4-6-13(14)3/h4-7,12H,8-11H2,1-3H3,(H,21,28).
What are the key properties of 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione has a molecular weight of 413.50 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53167701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).