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

C17H17N5O2S2 — CID 9439910

IUPAC3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(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
InChIKeyUNURACHKUPDZDP-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.07
Rot. Bonds4

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

3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 9439910) has the molecular formula C17H17N5O2S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID9439910
Molecular FormulaC17H17N5O2S2
Molecular Weight387.49 g/mol
Exact Mass387.08
IUPAC Name3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(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
InChIKeyUNURACHKUPDZDP-UHFFFAOYSA-N
XLogP2.07
TPSA71.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
7-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
7-[[4-(3-Fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126822473
3-(Azidomethyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 179074161
7-[(4-Ethylpiperazino)methyl]-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 6469928
Methyl-bis[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 9439909
3-Methyl-7-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16382455
7-(4,5-Dihydro-1,3-thiazol-2-ylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16385761
7-[(4-Ethylpiperazin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17396980
7-[[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17450606
7-[(4-Propylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22196991
3,7-Dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22432742

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 9439910) is 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)Cc3cc(=O)n4c(C)csc4n3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UNURACHKUPDZDP-UHFFFAOYSA-N. 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.
What are the key properties of 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 387.49 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 9439910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).