N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H18FN3O2S — CID 51646825

IUPACN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c1-10(2)14(11-3-5-12(18)6-4-11)20-15(22)13-9-19-17-21(16(13)23)7-8-24-17/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyAOUJXMLRXWQGJL-CQSZACIVSA-N
MW347.42 g/mol
LogP2.62
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51646825) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51646825
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2S/c1-10(2)14(11-3-5-12(18)6-4-11)20-15(22)13-9-19-17-21(16(13)23)7-8-24-17/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyAOUJXMLRXWQGJL-CQSZACIVSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51646825) is N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AOUJXMLRXWQGJL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-10(2)14(11-3-5-12(18)6-4-11)20-15(22)13-9-19-17-21(16(13)23)7-8-24-17/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51646825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).