7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H23N5OS — CID 91844392

IUPAC7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN(Cc3c(C)nn(C)c3C)C3CC3)nc2s1
InChIInChI=1S/C18H23N5OS/c1-11-8-23-17(24)7-14(19-18(23)25-11)9-22(15-5-6-15)10-16-12(2)20-21(4)13(16)3/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyTWGABFQOAFOPAW-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.58
Rot. Bonds5

About 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91844392) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91844392
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN(Cc3c(C)nn(C)c3C)C3CC3)nc2s1
InChIInChI=1S/C18H23N5OS/c1-11-8-23-17(24)7-14(19-18(23)25-11)9-22(15-5-6-15)10-16-12(2)20-21(4)13(16)3/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyTWGABFQOAFOPAW-UHFFFAOYSA-N
XLogP2.58
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91844392) is 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(CN(Cc3c(C)nn(C)c3C)C3CC3)nc2s1.
What is the InChIKey of 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is TWGABFQOAFOPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-11-8-23-17(24)7-14(19-18(23)25-11)9-22(15-5-6-15)10-16-12(2)20-21(4)13(16)3/h7-8,15H,5-6,9-10H2,1-4H3.
What are the key properties of 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 357.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91844392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).