(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol

C18H16FN5O2S — CID 142621124

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(C(O)c3c(C4CC4)sc4cncn34)c2F)cc1
InChIInChI=1S/C18H16FN5O2S/c1-26-12-6-4-11(5-7-12)24-18(19)14(21-22-24)16(25)15-17(10-2-3-10)27-13-8-20-9-23(13)15/h4-10,16,25H,2-3H2,1H3
InChIKeyFPDJNVCQAXALJO-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.08
Rot. Bonds5

About (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 142621124) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol
PubChem CID142621124
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(C(O)c3c(C4CC4)sc4cncn34)c2F)cc1
InChIInChI=1S/C18H16FN5O2S/c1-26-12-6-4-11(5-7-12)24-18(19)14(21-22-24)16(25)15-17(10-2-3-10)27-13-8-20-9-23(13)15/h4-10,16,25H,2-3H2,1H3
InChIKeyFPDJNVCQAXALJO-UHFFFAOYSA-N
XLogP3.08
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol (CID 142621124) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol is COc1ccc(-n2nnc(C(O)c3c(C4CC4)sc4cncn34)c2F)cc1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is FPDJNVCQAXALJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-26-12-6-4-11(5-7-12)24-18(19)14(21-22-24)16(25)15-17(10-2-3-10)27-13-8-20-9-23(13)15/h4-10,16,25H,2-3H2,1H3.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 385.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-fluoro-1-(4-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 142621124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).