2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

C18H16FN3O3S — CID 18119030

IUPAC2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C18H16FN3O3S/c1-11-16(26-18(22-11)12-4-6-13(19)7-5-12)17(24)21-10-15(23)20-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyFOXVTIMZKKBDLC-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.90
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 18119030) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID18119030
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C18H16FN3O3S/c1-11-16(26-18(22-11)12-4-6-13(19)7-5-12)17(24)21-10-15(23)20-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyFOXVTIMZKKBDLC-UHFFFAOYSA-N
XLogP2.90
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 18119030) is 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC(=O)NCc1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FOXVTIMZKKBDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-11-16(26-18(22-11)12-4-6-13(19)7-5-12)17(24)21-10-15(23)20-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18119030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).