3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H12N4O2S — CID 3442036

IUPAC3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3scc(C)n3c2=O)c1
InChIInChI=1S/C14H12N4O2S/c1-8-3-4-15-11(5-8)17-12(19)10-6-16-14-18(13(10)20)9(2)7-21-14/h3-7H,1-2H3,(H,15,17,19)
InChIKeyXYEYIMXFXMSDJL-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.02
Rot. Bonds2

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

3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3442036) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3442036
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3scc(C)n3c2=O)c1
InChIInChI=1S/C14H12N4O2S/c1-8-3-4-15-11(5-8)17-12(19)10-6-16-14-18(13(10)20)9(2)7-21-14/h3-7H,1-2H3,(H,15,17,19)
InChIKeyXYEYIMXFXMSDJL-UHFFFAOYSA-N
XLogP2.02
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
N-(4-carbamoylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3586698
(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120526975
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46970957
N-cyclopropyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 4134616
N-(5-acetamido-2-methoxyphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4581052
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4997940
3-methyl-N-(5-nitro-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3597790
3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564201
4-amino-6-methyl-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81236114
N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470738

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3442036) is 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1ccnc(NC(=O)c2cnc3scc(C)n3c2=O)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XYEYIMXFXMSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-3-4-15-11(5-8)17-12(19)10-6-16-14-18(13(10)20)9(2)7-21-14/h3-7H,1-2H3,(H,15,17,19).
What are the key properties of 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3442036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).