2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide

C18H17FN4O2S — CID 59568530

IUPAC2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC(C)C)s1
InChIInChI=1S/C18H17FN4O2S/c1-10(2)22-18(24)15-9-21-16(26-15)7-5-13-11(3)25-23-17(13)14-6-4-12(19)8-20-14/h4-10H,1-3H3,(H,22,24)/b7-5+
InChIKeyUPUYMSQDTCDBEP-FNORWQNLSA-N
MW372.43 g/mol
LogP3.95
Rot. Bonds5

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

2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59568530) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59568530
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC(C)C)s1
InChIInChI=1S/C18H17FN4O2S/c1-10(2)22-18(24)15-9-21-16(26-15)7-5-13-11(3)25-23-17(13)14-6-4-12(19)8-20-14/h4-10H,1-3H3,(H,22,24)/b7-5+
InChIKeyUPUYMSQDTCDBEP-FNORWQNLSA-N
XLogP3.95
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 59568530) is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)NC(C)C)s1.
What is the InChIKey of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UPUYMSQDTCDBEP-FNORWQNLSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-10(2)22-18(24)15-9-21-16(26-15)7-5-13-11(3)25-23-17(13)14-6-4-12(19)8-20-14/h4-10H,1-3H3,(H,22,24)/b7-5+.
What are the key properties of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).