[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid

C18H15FN6O3S — CID 156690662

IUPAC[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1
InChIInChI=1S/C18H15FN6O3S/c19-11-5-10(21-18(27)28)3-4-13(11)25-7-12(22-23-25)16(26)15-17(9-1-2-9)29-14-6-20-8-24(14)15/h3-9,16,21,26H,1-2H2,(H,27,28)
InChIKeyFSPMECKGEFLZTC-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.16
Rot. Bonds5

About [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid

[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid (PubChem CID 156690662) has the molecular formula C18H15FN6O3S and a molecular weight of 414.42 g/mol. Its IUPAC name is [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid
PubChem CID156690662
Molecular FormulaC18H15FN6O3S
Molecular Weight414.42 g/mol
Exact Mass414.09
IUPAC Name[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1
InChIInChI=1S/C18H15FN6O3S/c19-11-5-10(21-18(27)28)3-4-13(11)25-7-12(22-23-25)16(26)15-17(9-1-2-9)29-14-6-20-8-24(14)15/h3-9,16,21,26H,1-2H2,(H,27,28)
InChIKeyFSPMECKGEFLZTC-UHFFFAOYSA-N
XLogP3.16
TPSA117.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid?
The IUPAC name of [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid (CID 156690662) is [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid.
What is the SMILES notation for [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid?
The canonical SMILES for [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid is O=C(O)Nc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1.
What is the InChIKey of [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid?
The InChIKey is FSPMECKGEFLZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O3S/c19-11-5-10(21-18(27)28)3-4-13(11)25-7-12(22-23-25)16(26)15-17(9-1-2-9)29-14-6-20-8-24(14)15/h3-9,16,21,26H,1-2H2,(H,27,28).
What are the key properties of [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid?
[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid has a molecular weight of 414.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid is sourced from PubChem (CID 156690662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).