N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide

C19H16FN5OS — CID 50749160

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCc1cc(C)n2nc(CN(C(=O)c3cccs3)c3ccc(F)cc3)nc2n1
InChIInChI=1S/C19H16FN5OS/c1-12-10-13(2)25-19(21-12)22-17(23-25)11-24(15-7-5-14(20)6-8-15)18(26)16-4-3-9-27-16/h3-10H,11H2,1-2H3
InChIKeyXKGDHGMPXDVYLP-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.79
Rot. Bonds4

About N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 50749160) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID50749160
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCc1cc(C)n2nc(CN(C(=O)c3cccs3)c3ccc(F)cc3)nc2n1
InChIInChI=1S/C19H16FN5OS/c1-12-10-13(2)25-19(21-12)22-17(23-25)11-24(15-7-5-14(20)6-8-15)18(26)16-4-3-9-27-16/h3-10H,11H2,1-2H3
InChIKeyXKGDHGMPXDVYLP-UHFFFAOYSA-N
XLogP3.79
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide (CID 50749160) is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide is Cc1cc(C)n2nc(CN(C(=O)c3cccs3)c3ccc(F)cc3)nc2n1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is XKGDHGMPXDVYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-12-10-13(2)25-19(21-12)22-17(23-25)11-24(15-7-5-14(20)6-8-15)18(26)16-4-3-9-27-16/h3-10H,11H2,1-2H3.
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 50749160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).