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

C24H21N3O6S — CID 165484684

IUPAC4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Nc1nc(C(=O)NC2COCC2C(=O)O)cs1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21N3O6S/c28-21(25-19-11-32-9-18(19)22(29)30)20-12-34-23(26-20)27-24(31)33-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19H,9-11H2,(H,25,28)(H,29,30)(H,26,27,31)
InChIKeyJPTBHOJRHJQGGY-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.33
Rot. Bonds6

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

4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 165484684) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID165484684
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC Name4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Nc1nc(C(=O)NC2COCC2C(=O)O)cs1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21N3O6S/c28-21(25-19-11-32-9-18(19)22(29)30)20-12-34-23(26-20)27-24(31)33-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19H,9-11H2,(H,25,28)(H,29,30)(H,26,27,31)
InChIKeyJPTBHOJRHJQGGY-UHFFFAOYSA-N
XLogP3.33
TPSA126.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 165494621
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
cis-(1S,3R)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178198355
methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate
CID 80655207
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
(1,3-dioxoisoindol-2-yl) (3S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carboxylate
CID 178193977
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198233
trans-(1S,2R)-2-[[[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178195997
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 165483985
cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178192441

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid (CID 165484684) is 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid is O=C(Nc1nc(C(=O)NC2COCC2C(=O)O)cs1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is JPTBHOJRHJQGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S/c28-21(25-19-11-32-9-18(19)22(29)30)20-12-34-23(26-20)27-24(31)33-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19H,9-11H2,(H,25,28)(H,29,30)(H,26,27,31).
What are the key properties of 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid?
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 479.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 165484684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).