6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione

C17H18N6O3S — CID 53167635

IUPAC6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
SMILESCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccn4)CC3)snc2c1=O
InChIInChI=1S/C17H18N6O3S/c1-2-23-15(24)13-12(19-17(23)26)14(27-20-13)16(25)22-9-7-21(8-10-22)11-5-3-4-6-18-11/h3-6H,2,7-10H2,1H3,(H,19,26)
InChIKeyFEXUKRVOXNTCTD-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.52
Rot. Bonds3

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

6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione (PubChem CID 53167635) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
PubChem CID53167635
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
SMILESCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccn4)CC3)snc2c1=O
InChIInChI=1S/C17H18N6O3S/c1-2-23-15(24)13-12(19-17(23)26)14(27-20-13)16(25)22-9-7-21(8-10-22)11-5-3-4-6-18-11/h3-6H,2,7-10H2,1H3,(H,19,26)
InChIKeyFEXUKRVOXNTCTD-UHFFFAOYSA-N
XLogP0.52
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethyl-3-(thiomorpholine-4-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CID 53167648
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-6-propan-2-yl-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CID 53167701
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 6619096
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 55577543
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 6615554

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The IUPAC name of 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione (CID 53167635) is 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione is CCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccn4)CC3)snc2c1=O.
What is the InChIKey of 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
The InChIKey is FEXUKRVOXNTCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-2-23-15(24)13-12(19-17(23)26)14(27-20-13)16(25)22-9-7-21(8-10-22)11-5-3-4-6-18-11/h3-6H,2,7-10H2,1H3,(H,19,26).
What are the key properties of 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione?
6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione has a molecular weight of 386.44 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53167635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).