4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid

C22H18N2O4S — CID 169469291

IUPAC4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(NCC=Cc1csc(C(=O)O)n1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18N2O4S/c25-21(26)20-24-14(13-29-20)6-5-11-23-22(27)28-12-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-10,13,19H,11-12H2,(H,23,27)(H,25,26)
InChIKeyRFVGAOLSZJPWKT-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.39
Rot. Bonds6

About 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid

4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 169469291) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid
PubChem CID169469291
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(NCC=Cc1csc(C(=O)O)n1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18N2O4S/c25-21(26)20-24-14(13-29-20)6-5-11-23-22(27)28-12-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-10,13,19H,11-12H2,(H,23,27)(H,25,26)
InChIKeyRFVGAOLSZJPWKT-UHFFFAOYSA-N
XLogP4.39
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 169469614
9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169469003
methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
CID 169469992
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2,4-dihydroxybenzoic acid
CID 169470064
9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate
CID 169470886
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid
CID 169469212
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid (CID 169469291) is 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid is O=C(NCC=Cc1csc(C(=O)O)n1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is RFVGAOLSZJPWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c25-21(26)20-24-14(13-29-20)6-5-11-23-22(27)28-12-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-10,13,19H,11-12H2,(H,23,27)(H,25,26).
What are the key properties of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid?
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 406.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 169469291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).