N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H18N4O2S2 — CID 39920681

IUPACN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCc1ccc(-c2nc(NC(=O)c3cnc4sccn4c3=O)sc2C)cc1
InChIInChI=1S/C20H18N4O2S2/c1-3-4-13-5-7-14(8-6-13)16-12(2)28-19(22-16)23-17(25)15-11-21-20-24(18(15)26)9-10-27-20/h5-11H,3-4H2,1-2H3,(H,22,23,25)
InChIKeyDHWKAVLYKSGOMO-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.39
Rot. Bonds5

About N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 39920681) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID39920681
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCc1ccc(-c2nc(NC(=O)c3cnc4sccn4c3=O)sc2C)cc1
InChIInChI=1S/C20H18N4O2S2/c1-3-4-13-5-7-14(8-6-13)16-12(2)28-19(22-16)23-17(25)15-11-21-20-24(18(15)26)9-10-27-20/h5-11H,3-4H2,1-2H3,(H,22,23,25)
InChIKeyDHWKAVLYKSGOMO-UHFFFAOYSA-N
XLogP4.39
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 34460359
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329819
2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 134025231
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
CID 173175208
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17498432
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119955925
(2S)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2475120
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
trans-(1S,2S)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1231767
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 60615839
4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 35538236

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 39920681) is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCc1ccc(-c2nc(NC(=O)c3cnc4sccn4c3=O)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DHWKAVLYKSGOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-3-4-13-5-7-14(8-6-13)16-12(2)28-19(22-16)23-17(25)15-11-21-20-24(18(15)26)9-10-27-20/h5-11H,3-4H2,1-2H3,(H,22,23,25).
What are the key properties of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 39920681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).