2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

C18H18N4OS2 — CID 51700626

IUPAC2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc2c(-c3ccccc3)nc(SCC(=O)N3CCCC3)nc2s1
InChIInChI=1S/C18H18N4OS2/c1-12-19-16-15(13-7-3-2-4-8-13)20-18(21-17(16)25-12)24-11-14(23)22-9-5-6-10-22/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyPPIKHCRVRDYPAP-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.78
Rot. Bonds4

About 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 51700626) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID51700626
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc2c(-c3ccccc3)nc(SCC(=O)N3CCCC3)nc2s1
InChIInChI=1S/C18H18N4OS2/c1-12-19-16-15(13-7-3-2-4-8-13)20-18(21-17(16)25-12)24-11-14(23)22-9-5-6-10-22/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyPPIKHCRVRDYPAP-UHFFFAOYSA-N
XLogP3.78
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 51700626) is 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is Cc1nc2c(-c3ccccc3)nc(SCC(=O)N3CCCC3)nc2s1.
What is the InChIKey of 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is PPIKHCRVRDYPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-12-19-16-15(13-7-3-2-4-8-13)20-18(21-17(16)25-12)24-11-14(23)22-9-5-6-10-22/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 370.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 51700626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).