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

C16H18N4O2S2 — CID 52898778

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)Nc3nc(C(C)(C)C)cs3)c(=O)n2c1C
InChIInChI=1S/C16H18N4O2S2/c1-8-9(2)24-15-17-6-10(13(22)20(8)15)12(21)19-14-18-11(7-23-14)16(3,4)5/h6-7H,1-5H3,(H,18,19,21)
InChIKeyOKWPPNXLEXSWGM-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.38
Rot. Bonds2

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 52898778) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID52898778
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)Nc3nc(C(C)(C)C)cs3)c(=O)n2c1C
InChIInChI=1S/C16H18N4O2S2/c1-8-9(2)24-15-17-6-10(13(22)20(8)15)12(21)19-14-18-11(7-23-14)16(3,4)5/h6-7H,1-5H3,(H,18,19,21)
InChIKeyOKWPPNXLEXSWGM-UHFFFAOYSA-N
XLogP3.38
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248388
N-(4-chlorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99821357
2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470183
N-(3-fluorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248392
2,3-dimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248405
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469968
N-(4-hydroxycyclohexyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470484
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
CID 62000856

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 52898778) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-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)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)Nc3nc(C(C)(C)C)cs3)c(=O)n2c1C.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OKWPPNXLEXSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-8-9(2)24-15-17-6-10(13(22)20(8)15)12(21)19-14-18-11(7-23-14)16(3,4)5/h6-7H,1-5H3,(H,18,19,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.38, 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)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 52898778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).