N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide

C7H6N4OS — CID 91425745

IUPACN-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide
SMILESCNC(=O)c1ncc2scnc2n1
InChIInChI=1S/C7H6N4OS/c1-8-7(12)6-9-2-4-5(11-6)10-3-13-4/h2-3H,1H3,(H,8,12)
InChIKeyVZBLZQFWANNTHO-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.45
Rot. Bonds1

About N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide

N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide (PubChem CID 91425745) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide
PubChem CID91425745
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC NameN-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide
SMILESCNC(=O)c1ncc2scnc2n1
InChIInChI=1S/C7H6N4OS/c1-8-7(12)6-9-2-4-5(11-6)10-3-13-4/h2-3H,1H3,(H,8,12)
InChIKeyVZBLZQFWANNTHO-UHFFFAOYSA-N
XLogP0.45
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide (CID 91425745) is N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide is CNC(=O)c1ncc2scnc2n1.
What is the InChIKey of N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide?
The InChIKey is VZBLZQFWANNTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c1-8-7(12)6-9-2-4-5(11-6)10-3-13-4/h2-3H,1H3,(H,8,12).
What are the key properties of N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide?
N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide has a molecular weight of 194.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-[1,3]thiazolo[4,5-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91425745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).