5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

C14H9F3N4O3S — CID 135495828

IUPAC5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)snc2c(=O)[nH]1
InChIInChI=1S/C14H9F3N4O3S/c1-6-18-9-10(12(22)19-6)21-25-11(9)13(23)20-7-2-4-8(5-3-7)24-14(15,16)17/h2-5H,1H3,(H,20,23)(H,18,19,22)
InChIKeyOZVVICNIOFTLPX-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.84
Rot. Bonds3

About 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (PubChem CID 135495828) has the molecular formula C14H9F3N4O3S and a molecular weight of 370.31 g/mol. Its IUPAC name is 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
PubChem CID135495828
Molecular FormulaC14H9F3N4O3S
Molecular Weight370.31 g/mol
Exact Mass370.03
IUPAC Name5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)snc2c(=O)[nH]1
InChIInChI=1S/C14H9F3N4O3S/c1-6-18-9-10(12(22)19-6)21-25-11(9)13(23)20-7-2-4-8(5-3-7)24-14(15,16)17/h2-5H,1H3,(H,20,23)(H,18,19,22)
InChIKeyOZVVICNIOFTLPX-UHFFFAOYSA-N
XLogP2.84
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135457087
5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135495824
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
CID 27449178
4-methyl-2-pyrimidin-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55810916
3-amino-6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048212
3-amino-4-methyl-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048219
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
3-amino-5-methyl-6-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 87048225
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (CID 135495828) is 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)snc2c(=O)[nH]1.
What is the InChIKey of 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The InChIKey is OZVVICNIOFTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3S/c1-6-18-9-10(12(22)19-6)21-25-11(9)13(23)20-7-2-4-8(5-3-7)24-14(15,16)17/h2-5H,1H3,(H,20,23)(H,18,19,22).
What are the key properties of 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide has a molecular weight of 370.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 135495828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).