5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C7H7N3OS — CID 118009603

IUPAC5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1=CSC2=NC=CCN12
InChIInChI=1S/C7H7N3OS/c8-6(11)5-4-12-7-9-2-1-3-10(5)7/h1-2,4H,3H2,(H2,8,11)
InChIKeyKQHXTSVQXDFXLR-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.25
Rot. Bonds1

About 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118009603) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118009603
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1=CSC2=NC=CCN12
InChIInChI=1S/C7H7N3OS/c8-6(11)5-4-12-7-9-2-1-3-10(5)7/h1-2,4H,3H2,(H2,8,11)
InChIKeyKQHXTSVQXDFXLR-UHFFFAOYSA-N
XLogP0.25
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118009603) is 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is NC(=O)C1=CSC2=NC=CCN12.
What is the InChIKey of 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is KQHXTSVQXDFXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c8-6(11)5-4-12-7-9-2-1-3-10(5)7/h1-2,4H,3H2,(H2,8,11).
What are the key properties of 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 181.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118009603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).