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

C12H17N3O2S — CID 23877148

IUPACN-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCN(C)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H17N3O2S/c1-3-4-5-14(2)10(16)9-8-13-12-15(11(9)17)6-7-18-12/h8H,3-7H2,1-2H3
InChIKeyKAALGFHAEQSALB-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.22
Rot. Bonds4

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

N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 23877148) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID23877148
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCN(C)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H17N3O2S/c1-3-4-5-14(2)10(16)9-8-13-12-15(11(9)17)6-7-18-12/h8H,3-7H2,1-2H3
InChIKeyKAALGFHAEQSALB-UHFFFAOYSA-N
XLogP1.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 23877148) is N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCN(C)C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KAALGFHAEQSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-4-5-14(2)10(16)9-8-13-12-15(11(9)17)6-7-18-12/h8H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 23877148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).