N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H14FN3O2S2 — CID 17469535

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C16H14FN3O2S2/c17-9-1-2-13-10(7-9)12(3-5-23-13)19-14(21)11-8-18-16-20(15(11)22)4-6-24-16/h1-2,7-8,12H,3-6H2,(H,19,21)
InChIKeyDSNLKRGGJANYEW-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.45
Rot. Bonds2

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17469535) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17469535
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C16H14FN3O2S2/c17-9-1-2-13-10(7-9)12(3-5-23-13)19-14(21)11-8-18-16-20(15(11)22)4-6-24-16/h1-2,7-8,12H,3-6H2,(H,19,21)
InChIKeyDSNLKRGGJANYEW-UHFFFAOYSA-N
XLogP2.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17469535) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCSc2ccc(F)cc21)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DSNLKRGGJANYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c17-9-1-2-13-10(7-9)12(3-5-23-13)19-14(21)11-8-18-16-20(15(11)22)4-6-24-16/h1-2,7-8,12H,3-6H2,(H,19,21).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17469535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).