N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H21N3O2S — CID 3245630

IUPACN-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H21N3O2S/c23-17-16(13-20-19-21(17)11-12-25-19)18(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12H2
InChIKeyUNXTZWLUJRPIOV-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.33
Rot. Bonds3

About N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3245630) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3245630
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H21N3O2S/c23-17-16(13-20-19-21(17)11-12-25-19)18(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12H2
InChIKeyUNXTZWLUJRPIOV-UHFFFAOYSA-N
XLogP3.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3245630) is N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2n(c1=O)CCS2)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UNXTZWLUJRPIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17-16(13-20-19-21(17)11-12-25-19)18(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12H2.
What are the key properties of N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3245630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).