6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

C17H17N5O3S — CID 53167612

IUPAC6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
SMILESCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccc4)CC3)snc2c1=O
InChIInChI=1S/C17H17N5O3S/c1-20-15(23)13-12(18-17(20)25)14(26-19-13)16(24)22-9-7-21(8-10-22)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,25)
InChIKeyXPWCYPAGONQKHQ-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.65
Rot. Bonds2

About 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione (PubChem CID 53167612) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
PubChem CID53167612
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
SMILESCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccc4)CC3)snc2c1=O
InChIInChI=1S/C17H17N5O3S/c1-20-15(23)13-12(18-17(20)25)14(26-19-13)16(24)22-9-7-21(8-10-22)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,25)
InChIKeyXPWCYPAGONQKHQ-UHFFFAOYSA-N
XLogP0.65
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione with MolForge

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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
2-methyl-5-(4-phenylpiperazine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849778
6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CID 53167648
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 27449003
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53169246
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 39080600

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The IUPAC name of 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione (CID 53167612) is 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione is Cn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccc4)CC3)snc2c1=O.
What is the InChIKey of 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The InChIKey is XPWCYPAGONQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-20-15(23)13-12(18-17(20)25)14(26-19-13)16(24)22-9-7-21(8-10-22)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,25).
What are the key properties of 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione has a molecular weight of 371.42 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53167612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).