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

C18H21N3O2S — CID 3235658

IUPACN-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C18H21N3O2S/c1-2-3-9-20(13-14-7-5-4-6-8-14)16(22)15-12-19-18-21(17(15)23)10-11-24-18/h4-8,12H,2-3,9-11,13H2,1H3
InChIKeyCIDRWFZPYSLUCU-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.79
Rot. Bonds6

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

N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3235658) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3235658
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C18H21N3O2S/c1-2-3-9-20(13-14-7-5-4-6-8-14)16(22)15-12-19-18-21(17(15)23)10-11-24-18/h4-8,12H,2-3,9-11,13H2,1H3
InChIKeyCIDRWFZPYSLUCU-UHFFFAOYSA-N
XLogP2.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3235658) is N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CIDRWFZPYSLUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-3-9-20(13-14-7-5-4-6-8-14)16(22)15-12-19-18-21(17(15)23)10-11-24-18/h4-8,12H,2-3,9-11,13H2,1H3.
What are the key properties of N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3235658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).