ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C19H15FN4O3S2 — CID 42269976

IUPACethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C19H15FN4O3S2/c1-2-27-16(25)7-13-9-28-18(21-13)23-17(26)15-10-29-19-22-14(8-24(15)19)11-3-5-12(20)6-4-11/h3-6,8-10H,2,7H2,1H3,(H,21,23,26)
InChIKeyQLDYENHHWXNNDD-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.02
Rot. Bonds6

About ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 42269976) has the molecular formula C19H15FN4O3S2 and a molecular weight of 430.49 g/mol. Its IUPAC name is ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID42269976
Molecular FormulaC19H15FN4O3S2
Molecular Weight430.49 g/mol
Exact Mass430.06
IUPAC Nameethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C19H15FN4O3S2/c1-2-27-16(25)7-13-9-28-18(21-13)23-17(26)15-10-29-19-22-14(8-24(15)19)11-3-5-12(20)6-4-11/h3-6,8-10H,2,7H2,1H3,(H,21,23,26)
InChIKeyQLDYENHHWXNNDD-UHFFFAOYSA-N
XLogP4.02
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 42269976) is ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)n1.
What is the InChIKey of ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QLDYENHHWXNNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S2/c1-2-27-16(25)7-13-9-28-18(21-13)23-17(26)15-10-29-19-22-14(8-24(15)19)11-3-5-12(20)6-4-11/h3-6,8-10H,2,7H2,1H3,(H,21,23,26).
What are the key properties of ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 430.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 42269976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).