7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H17N5OS — CID 91833024

IUPAC7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1n[nH]c(C)c1CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H17N5OS/c1-9-12(10(2)17-16-9)8-18(3)7-11-6-13(20)19-4-5-21-14(19)15-11/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyWPZJNMDPHAFVDC-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.73
Rot. Bonds4

About 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91833024) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91833024
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1n[nH]c(C)c1CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H17N5OS/c1-9-12(10(2)17-16-9)8-18(3)7-11-6-13(20)19-4-5-21-14(19)15-11/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyWPZJNMDPHAFVDC-UHFFFAOYSA-N
XLogP1.73
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[Methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22196617
7-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71927073
2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 72933351
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86809032
7-{[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91828594
7-{[methyl(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91832044
7-{[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)(methyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91832322
2-methyl-7-({methyl[(5-propyl-1H-pyrazol-3-yl)methyl]amino}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91835506
2-{[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 91836548
7-{[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl](methyl)amino]methyl}-2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91836794
7-[(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91843308
7-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 97004603

Frequently Asked Questions

What is the IUPAC name of 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91833024) is 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1n[nH]c(C)c1CN(C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WPZJNMDPHAFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-12(10(2)17-16-9)8-18(3)7-11-6-13(20)19-4-5-21-14(19)15-11/h4-6H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 303.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91833024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).