7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H17N3O2S — CID 138027848

IUPAC7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2cc(C)sc2n1)c1cccc(O)c1
InChIInChI=1S/C16H17N3O2S/c1-3-18(13-5-4-6-14(20)8-13)10-12-7-15(21)19-9-11(2)22-16(19)17-12/h4-9,20H,3,10H2,1-2H3
InChIKeyKCLQCVKIOWVMFA-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.80
Rot. Bonds4

About 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 138027848) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID138027848
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2cc(C)sc2n1)c1cccc(O)c1
InChIInChI=1S/C16H17N3O2S/c1-3-18(13-5-4-6-14(20)8-13)10-12-7-15(21)19-9-11(2)22-16(19)17-12/h4-9,20H,3,10H2,1-2H3
InChIKeyKCLQCVKIOWVMFA-UHFFFAOYSA-N
XLogP2.80
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 138027848) is 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(Cc1cc(=O)n2cc(C)sc2n1)c1cccc(O)c1.
What is the InChIKey of 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KCLQCVKIOWVMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-3-18(13-5-4-6-14(20)8-13)10-12-7-15(21)19-9-11(2)22-16(19)17-12/h4-9,20H,3,10H2,1-2H3.
What are the key properties of 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 315.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(N-ethyl-3-hydroxyanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 138027848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).