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

C15H16N4O2S2 — CID 71705675

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)Nc3nc(C(C)(C)C)cs3)cnc2s1
InChIInChI=1S/C15H16N4O2S2/c1-8-6-19-12(21)9(5-16-14(19)23-8)11(20)18-13-17-10(7-22-13)15(2,3)4/h5-7H,1-4H3,(H,17,18,20)
InChIKeyATHUKYPGKJSNAT-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.07
Rot. Bonds2

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 71705675) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID71705675
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)Nc3nc(C(C)(C)C)cs3)cnc2s1
InChIInChI=1S/C15H16N4O2S2/c1-8-6-19-12(21)9(5-16-14(19)23-8)11(20)18-13-17-10(7-22-13)15(2,3)4/h5-7H,1-4H3,(H,17,18,20)
InChIKeyATHUKYPGKJSNAT-UHFFFAOYSA-N
XLogP3.07
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 71705675) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)Nc3nc(C(C)(C)C)cs3)cnc2s1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ATHUKYPGKJSNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-8-6-19-12(21)9(5-16-14(19)23-8)11(20)18-13-17-10(7-22-13)15(2,3)4/h5-7H,1-4H3,(H,17,18,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71705675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).