2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid

C22H19N3O5S — CID 165483985

IUPAC2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C22H19N3O5S/c26-20(27)10-23-21(28)18-12-31-19(25-18)9-24-22(29)30-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,23,28)(H,24,29)(H,26,27)
InChIKeyXPAOSTPGGOCPEQ-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.00
Rot. Bonds7

About 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid

2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid (PubChem CID 165483985) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid
PubChem CID165483985
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C22H19N3O5S/c26-20(27)10-23-21(28)18-12-31-19(25-18)9-24-22(29)30-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,23,28)(H,24,29)(H,26,27)
InChIKeyXPAOSTPGGOCPEQ-UHFFFAOYSA-N
XLogP3.00
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1S,2R)-2-[[[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178195997
1-[[2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 165496024
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
CID 143718788
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
2-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropyl]-1,3-thiazole-4-carboxylic acid
CID 11418797
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
CID 102122046
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid (CID 165483985) is 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid?
The InChIKey is XPAOSTPGGOCPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c26-20(27)10-23-21(28)18-12-31-19(25-18)9-24-22(29)30-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,23,28)(H,24,29)(H,26,27).
What are the key properties of 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid?
2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid has a molecular weight of 437.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 165483985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).