6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide

C11H6F3N5O3S — CID 154798288

IUPAC6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H6F3N5O3S/c1-3-4(5-6(20)15-2-16-8(5)22-3)7(21)17-10-19-18-9(23-10)11(12,13)14/h2H,1H3,(H,15,16,20)(H,17,19,21)
InChIKeyVOCHVDCOVFJBFS-UHFFFAOYSA-N
MW345.26 g/mol
LogP1.95
Rot. Bonds2

About 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 154798288) has the molecular formula C11H6F3N5O3S and a molecular weight of 345.26 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID154798288
Molecular FormulaC11H6F3N5O3S
Molecular Weight345.26 g/mol
Exact Mass345.01
IUPAC Name6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H6F3N5O3S/c1-3-4(5-6(20)15-2-16-8(5)22-3)7(21)17-10-19-18-9(23-10)11(12,13)14/h2H,1H3,(H,15,16,20)(H,17,19,21)
InChIKeyVOCHVDCOVFJBFS-UHFFFAOYSA-N
XLogP1.95
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51087403
N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 143746633
N-(4-ethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 37345022
N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 31798248
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55869447
methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate
CID 60693539
(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 107833087
N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 75493186
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 107261163
1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165040
6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 94805754
N-[(2R)-2-(ethylamino)propyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 120651735

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 154798288) is 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VOCHVDCOVFJBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5O3S/c1-3-4(5-6(20)15-2-16-8(5)22-3)7(21)17-10-19-18-9(23-10)11(12,13)14/h2H,1H3,(H,15,16,20)(H,17,19,21).
What are the key properties of 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 345.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 154798288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).