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

C17H15FN6O3S — CID 156690665

IUPAC[4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid
SMILESCCc1sc2cncn2c1C(O)c1cn(-c2ccc(NC(=O)O)cc2F)nn1
InChIInChI=1S/C17H15FN6O3S/c1-2-13-15(23-8-19-6-14(23)28-13)16(25)11-7-24(22-21-11)12-4-3-9(5-10(12)18)20-17(26)27/h3-8,16,20,25H,2H2,1H3,(H,26,27)
InChIKeyYNCYFGWJHBZQQC-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.85
Rot. Bonds5

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

[4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid (PubChem CID 156690665) has the molecular formula C17H15FN6O3S and a molecular weight of 402.41 g/mol. Its IUPAC name is [4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid
PubChem CID156690665
Molecular FormulaC17H15FN6O3S
Molecular Weight402.41 g/mol
Exact Mass402.09
IUPAC Name[4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid
SMILESCCc1sc2cncn2c1C(O)c1cn(-c2ccc(NC(=O)O)cc2F)nn1
InChIInChI=1S/C17H15FN6O3S/c1-2-13-15(23-8-19-6-14(23)28-13)16(25)11-7-24(22-21-11)12-4-3-9(5-10(12)18)20-17(26)27/h3-8,16,20,25H,2H2,1H3,(H,26,27)
InChIKeyYNCYFGWJHBZQQC-UHFFFAOYSA-N
XLogP2.85
TPSA117.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

CID 142621196
CID 142621196
CID 142621183
CID 142621183
CID 142621225
CID 142621225
CID 142621228
CID 142621228
CID 142621279
CID 142621279
CID 142621286
CID 142621286
CID 142621459
CID 142621459
CID 152316412
CID 152316412
CID 156690662
CID 156690662
CID 172677841
CID 172677841
CID 142621117
CID 142621117
CID 142621118
CID 142621118

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid?
The IUPAC name of [4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid (CID 156690665) is [4-[4-[(2-ethylimidazo[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-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid?
The canonical SMILES for [4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid is CCc1sc2cncn2c1C(O)c1cn(-c2ccc(NC(=O)O)cc2F)nn1.
What is the InChIKey of [4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid?
The InChIKey is YNCYFGWJHBZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O3S/c1-2-13-15(23-8-19-6-14(23)28-13)16(25)11-7-24(22-21-11)12-4-3-9(5-10(12)18)20-17(26)27/h3-8,16,20,25H,2H2,1H3,(H,26,27).
What are the key properties of [4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid?
[4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid has a molecular weight of 402.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamic acid is sourced from PubChem (CID 156690665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).