2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid

C18H15FN6O2S — CID 175912993

IUPAC2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid
SMILESO=C(O)NCCn1cnc2cnc(Nc3ncc(-c4ccc(F)cc4)s3)cc21
InChIInChI=1S/C18H15FN6O2S/c19-12-3-1-11(2-4-12)15-9-22-17(28-15)24-16-7-14-13(8-21-16)23-10-25(14)6-5-20-18(26)27/h1-4,7-10,20H,5-6H2,(H,26,27)(H,21,22,24)
InChIKeyTZROALQILFBHHR-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.71
Rot. Bonds6

About 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid

2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid (PubChem CID 175912993) has the molecular formula C18H15FN6O2S and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid
PubChem CID175912993
Molecular FormulaC18H15FN6O2S
Molecular Weight398.42 g/mol
Exact Mass398.10
IUPAC Name2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid
SMILESO=C(O)NCCn1cnc2cnc(Nc3ncc(-c4ccc(F)cc4)s3)cc21
InChIInChI=1S/C18H15FN6O2S/c19-12-3-1-11(2-4-12)15-9-22-17(28-15)24-16-7-14-13(8-21-16)23-10-25(14)6-5-20-18(26)27/h1-4,7-10,20H,5-6H2,(H,26,27)(H,21,22,24)
InChIKeyTZROALQILFBHHR-UHFFFAOYSA-N
XLogP3.71
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid?
The IUPAC name of 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid (CID 175912993) is 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid?
The canonical SMILES for 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid is O=C(O)NCCn1cnc2cnc(Nc3ncc(-c4ccc(F)cc4)s3)cc21.
What is the InChIKey of 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid?
The InChIKey is TZROALQILFBHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2S/c19-12-3-1-11(2-4-12)15-9-22-17(28-15)24-16-7-14-13(8-21-16)23-10-25(14)6-5-20-18(26)27/h1-4,7-10,20H,5-6H2,(H,26,27)(H,21,22,24).
What are the key properties of 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid?
2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid has a molecular weight of 398.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethylcarbamic acid is sourced from PubChem (CID 175912993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).