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

C14H13N3O3S — CID 3241956

IUPACN-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H13N3O3S/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)
InChIKeyKMUZETXBCAOLCI-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.61
Rot. Bonds3

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

N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3241956) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3241956
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H13N3O3S/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)
InChIKeyKMUZETXBCAOLCI-UHFFFAOYSA-N
XLogP1.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155273
(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966
2-(5-Acetylamino-4,6-dioxo-1,4,5,6-tetrahydro-pyrimidin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 648719
N-cyano-N'-propan-2-ylcarbamimidothioic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
CID 660496
N-cyclohexyl-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2155260
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 2452101
7-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2461965
5-oxo-N-(4-(trifluoromethoxy)phenyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3710924
N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4046983
N-(2,5-dimethoxyphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197070
N-(5-chloro-2-methoxyphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4384144
5-oxo-N-(4-phenoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4673924

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3241956) is N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KMUZETXBCAOLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/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-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3241956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).