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

C13H19N3O2S2 — CID 3799490

IUPACN-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)SCCNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H19N3O2S2/c1-13(2,3)20-6-4-14-10(17)9-8-15-12-16(11(9)18)5-7-19-12/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyALISMEZGZVWMJR-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.61
Rot. Bonds4

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

N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3799490) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3799490
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC NameN-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)SCCNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H19N3O2S2/c1-13(2,3)20-6-4-14-10(17)9-8-15-12-16(11(9)18)5-7-19-12/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyALISMEZGZVWMJR-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3236322
5-oxo-N-prop-2-enyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4448532
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-N-cyclohexyl-5-oxo-
CID 4084303
N-butyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3240586
N-(sec-butyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4344057
5-Oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2739554
N-cycloheptyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3277752
5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 155289318
N-(tert-butyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3441785
N-isobutyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4169048
N-cyclododecyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4189746
N-(3-methoxypropyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4583472

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3799490) is N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)(C)SCCNC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ALISMEZGZVWMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-13(2,3)20-6-4-14-10(17)9-8-15-12-16(11(9)18)5-7-19-12/h8H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3799490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).