N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H13N3O2S2 — CID 4123589

IUPACN-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H13N3O2S2/c1-20-11-5-3-2-4-10(11)16-12(18)9-8-15-14-17(13(9)19)6-7-21-14/h2-5,8H,6-7H2,1H3,(H,16,18)
InChIKeyQNAODGDPGUMDCF-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.32
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4123589) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4123589
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H13N3O2S2/c1-20-11-5-3-2-4-10(11)16-12(18)9-8-15-14-17(13(9)19)6-7-21-14/h2-5,8H,6-7H2,1H3,(H,16,18)
InChIKeyQNAODGDPGUMDCF-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4123589) is N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QNAODGDPGUMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-20-11-5-3-2-4-10(11)16-12(18)9-8-15-14-17(13(9)19)6-7-21-14/h2-5,8H,6-7H2,1H3,(H,16,18).
What are the key properties of N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4123589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).