(3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

C15H14Cl2N3OS+ — CID 2499540

IUPAC(3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESC[NH+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H13Cl2N3OS/c1-19(8-10-2-3-12(16)13(17)6-10)9-11-7-14(21)20-4-5-22-15(20)18-11/h2-7H,8-9H2,1H3/p+1
InChIKeyFKNBKSVKTDADHG-UHFFFAOYSA-O
MW355.27 g/mol
LogP2.28
Rot. Bonds4

About (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

(3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 2499540) has the molecular formula C15H14Cl2N3OS+ and a molecular weight of 355.27 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
PubChem CID2499540
Molecular FormulaC15H14Cl2N3OS+
Molecular Weight355.27 g/mol
Exact Mass354.02
IUPAC Name(3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESC[NH+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H13Cl2N3OS/c1-19(8-10-2-3-12(16)13(17)6-10)9-11-7-14(21)20-4-5-22-15(20)18-11/h2-7H,8-9H2,1H3/p+1
InChIKeyFKNBKSVKTDADHG-UHFFFAOYSA-O
XLogP2.28
TPSA38.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8907616
(2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 2657671
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284
methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286316
7-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464319
7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17382749
7-[[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920574
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8779496
7-[[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51313958
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethylbenzoate
CID 2659498
7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 78795438

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The IUPAC name of (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 2499540) is (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.
What is the SMILES notation for (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The canonical SMILES for (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is C[NH+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The InChIKey is FKNBKSVKTDADHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13Cl2N3OS/c1-19(8-10-2-3-12(16)13(17)6-10)9-11-7-14(21)20-4-5-22-15(20)18-11/h2-7H,8-9H2,1H3/p+1.
What are the key properties of (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
(3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 355.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 2499540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).