N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide

C15H23N5O3S2 — CID 55498395

IUPACN,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C15H23N5O3S2/c1-3-18(4-2)25(22,23)19-7-5-17(6-8-19)12-13-11-14(21)20-9-10-24-15(20)16-13/h9-11H,3-8,12H2,1-2H3
InChIKeyMNHQVGGJIFOZFE-UHFFFAOYSA-N
MW385.52 g/mol
LogP0.46
Rot. Bonds6

About N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide

N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide (PubChem CID 55498395) has the molecular formula C15H23N5O3S2 and a molecular weight of 385.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide
PubChem CID55498395
Molecular FormulaC15H23N5O3S2
Molecular Weight385.52 g/mol
Exact Mass385.12
IUPAC NameN,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C15H23N5O3S2/c1-3-18(4-2)25(22,23)19-7-5-17(6-8-19)12-13-11-14(21)20-9-10-24-15(20)16-13/h9-11H,3-8,12H2,1-2H3
InChIKeyMNHQVGGJIFOZFE-UHFFFAOYSA-N
XLogP0.46
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-sulfonamide
CID 43039536
7-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42912158
7-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464319
7-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798840
7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119908074
7-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245920
7-[[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46656375
7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18137944
7-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120902561
7-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464868
7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17382749

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide (CID 55498395) is N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is MNHQVGGJIFOZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S2/c1-3-18(4-2)25(22,23)19-7-5-17(6-8-19)12-13-11-14(21)20-9-10-24-15(20)16-13/h9-11H,3-8,12H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 385.52 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55498395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).