5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C11H9N3OS2 — CID 862007

IUPAC5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESNc1c(Cc2cccs2)c(=O)nc2sccn12
InChIInChI=1S/C11H9N3OS2/c12-9-8(6-7-2-1-4-16-7)10(15)13-11-14(9)3-5-17-11/h1-5H,6,12H2
InChIKeyNKAREEWZQJPPIN-UHFFFAOYSA-N
MW263.35 g/mol
LogP1.99
Rot. Bonds2

About 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 862007) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID862007
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESNc1c(Cc2cccs2)c(=O)nc2sccn12
InChIInChI=1S/C11H9N3OS2/c12-9-8(6-7-2-1-4-16-7)10(15)13-11-14(9)3-5-17-11/h1-5H,6,12H2
InChIKeyNKAREEWZQJPPIN-UHFFFAOYSA-N
XLogP1.99
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[(2-hydroxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 862011
N-(5-amino-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 10636935
6-amino-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146950
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134794015
6-amino-N-(1-thiophen-2-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63295938
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 137304098
5-(2-aminopropyl)-N-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63785647
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43763585
7-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8678107

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 862007) is 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one is Nc1c(Cc2cccs2)c(=O)nc2sccn12.
What is the InChIKey of 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is NKAREEWZQJPPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c12-9-8(6-7-2-1-4-16-7)10(15)13-11-14(9)3-5-17-11/h1-5H,6,12H2.
What are the key properties of 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 263.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 862007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).