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

C17H18N5O2S2+ — CID 9439909

IUPACmethyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCc1csc2nc(C[NH+](C)Cc3cc(=O)n4c(C)csc4n3)cc(=O)n12
InChIInChI=1S/C17H17N5O2S2/c1-10-8-25-16-18-12(4-14(23)21(10)16)6-20(3)7-13-5-15(24)22-11(2)9-26-17(22)19-13/h4-5,8-9H,6-7H2,1-3H3/p+1
InChIKeyUNURACHKUPDZDP-UHFFFAOYSA-O
MW388.50 g/mol
LogP0.66
Rot. Bonds4

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

methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 9439909) has the molecular formula C17H18N5O2S2+ and a molecular weight of 388.50 g/mol. Its IUPAC name is methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

Compound Namemethyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
PubChem CID9439909
Molecular FormulaC17H18N5O2S2+
Molecular Weight388.50 g/mol
Exact Mass388.09
IUPAC Namemethyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCc1csc2nc(C[NH+](C)Cc3cc(=O)n4c(C)csc4n3)cc(=O)n12
InChIInChI=1S/C17H17N5O2S2/c1-10-8-25-16-18-12(4-14(23)21(10)16)6-20(3)7-13-5-15(24)22-11(2)9-26-17(22)19-13/h4-5,8-9H,6-7H2,1-3H3/p+1
InChIKeyUNURACHKUPDZDP-UHFFFAOYSA-O
XLogP0.66
TPSA73.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The IUPAC name of methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 9439909) is methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.
What is the SMILES notation for methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The canonical SMILES for methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is Cc1csc2nc(C[NH+](C)Cc3cc(=O)n4c(C)csc4n3)cc(=O)n12.
What is the InChIKey of methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The InChIKey is UNURACHKUPDZDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17N5O2S2/c1-10-8-25-16-18-12(4-14(23)21(10)16)6-20(3)7-13-5-15(24)22-11(2)9-26-17(22)19-13/h4-5,8-9H,6-7H2,1-3H3/p+1.
What are the key properties of methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 388.50 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 9439909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).