N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide

C18H17FN4O2S — CID 59568510

IUPACN-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H17FN4O2S/c1-10-13(17(23-25-10)14-6-2-11(19)8-20-14)5-7-16-21-9-15(26-16)18(24)22-12-3-4-12/h2,6,8-9,12H,3-5,7H2,1H3,(H,22,24)
InChIKeyDNPGXAJTKOIPFN-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.32
Rot. Bonds6

About N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 59568510) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID59568510
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H17FN4O2S/c1-10-13(17(23-25-10)14-6-2-11(19)8-20-14)5-7-16-21-9-15(26-16)18(24)22-12-3-4-12/h2,6,8-9,12H,3-5,7H2,1H3,(H,22,24)
InChIKeyDNPGXAJTKOIPFN-UHFFFAOYSA-N
XLogP3.32
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 59568510) is N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DNPGXAJTKOIPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-10-13(17(23-25-10)14-6-2-11(19)8-20-14)5-7-16-21-9-15(26-16)18(24)22-12-3-4-12/h2,6,8-9,12H,3-5,7H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).