4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide

C20H19FN8OS — CID 126761918

IUPAC4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide
SMILESO=C(NC1CSC(c2nncn2C2CC2)=N1)c1cc(-n2cnc(C3CC3)c2)c(F)cn1
InChIInChI=1S/C20H19FN8OS/c21-13-6-22-14(5-16(13)28-7-15(23-9-28)11-1-2-11)19(30)25-17-8-31-20(26-17)18-27-24-10-29(18)12-3-4-12/h5-7,9-12,17H,1-4,8H2,(H,25,30)
InChIKeyRERMSFATINQKRC-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.46
Rot. Bonds6

About 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 126761918) has the molecular formula C20H19FN8OS and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide
PubChem CID126761918
Molecular FormulaC20H19FN8OS
Molecular Weight438.49 g/mol
Exact Mass438.14
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide
SMILESO=C(NC1CSC(c2nncn2C2CC2)=N1)c1cc(-n2cnc(C3CC3)c2)c(F)cn1
InChIInChI=1S/C20H19FN8OS/c21-13-6-22-14(5-16(13)28-7-15(23-9-28)11-1-2-11)19(30)25-17-8-31-20(26-17)18-27-24-10-29(18)12-3-4-12/h5-7,9-12,17H,1-4,8H2,(H,25,30)
InChIKeyRERMSFATINQKRC-UHFFFAOYSA-N
XLogP2.46
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide (CID 126761918) is 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide is O=C(NC1CSC(c2nncn2C2CC2)=N1)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is RERMSFATINQKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8OS/c21-13-6-22-14(5-16(13)28-7-15(23-9-28)11-1-2-11)19(30)25-17-8-31-20(26-17)18-27-24-10-29(18)12-3-4-12/h5-7,9-12,17H,1-4,8H2,(H,25,30).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4,5-dihydro-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 126761918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).