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

C13H17N5OS2 — CID 72927802

IUPACN-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN(Cc1nccs1)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C13H17N5OS2/c1-9-11-12(17(2)16-9)15-13(21-11)18(5-6-19-3)8-10-14-4-7-20-10/h4,7H,5-6,8H2,1-3H3
InChIKeyFDNZHWCHQVJWFI-UHFFFAOYSA-N
MW323.45 g/mol
LogP2.45
Rot. Bonds6

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

N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72927802) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72927802
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC NameN-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCOCCN(Cc1nccs1)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C13H17N5OS2/c1-9-11-12(17(2)16-9)15-13(21-11)18(5-6-19-3)8-10-14-4-7-20-10/h4,7H,5-6,8H2,1-3H3
InChIKeyFDNZHWCHQVJWFI-UHFFFAOYSA-N
XLogP2.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 52.45
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-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72927802) is N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is COCCN(Cc1nccs1)c1nc2c(s1)c(C)nn2C.
What is the InChIKey of N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is FDNZHWCHQVJWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-9-11-12(17(2)16-9)15-13(21-11)18(5-6-19-3)8-10-14-4-7-20-10/h4,7H,5-6,8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 323.45 g/mol, XLogP of 2.45, 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-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72927802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).