N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C14H20N6OS — CID 72903936

IUPACN-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN(Cc1cnn(C)c1)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C14H20N6OS/c1-10-12-13(19(3)17-10)16-14(22-12)20(5-6-21-4)9-11-7-15-18(2)8-11/h7-8H,5-6,9H2,1-4H3
InChIKeyRVLBOXJHLXLKAU-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.72
Rot. Bonds6

About N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72903936) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72903936
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN(Cc1cnn(C)c1)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C14H20N6OS/c1-10-12-13(19(3)17-10)16-14(22-12)20(5-6-21-4)9-11-7-15-18(2)8-11/h7-8H,5-6,9H2,1-4H3
InChIKeyRVLBOXJHLXLKAU-UHFFFAOYSA-N
XLogP1.72
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72903936) is N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is COCCN(Cc1cnn(C)c1)c1nc2c(s1)c(C)nn2C.
What is the InChIKey of N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is RVLBOXJHLXLKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-10-12-13(19(3)17-10)16-14(22-12)20(5-6-21-4)9-11-7-15-18(2)8-11/h7-8H,5-6,9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 320.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72903936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).