2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C23H20N2O4S — CID 169469614

IUPAC2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1C(=O)O
InChIInChI=1S/C23H20N2O4S/c1-14-21(22(26)27)30-20(25-14)11-6-12-24-23(28)29-13-19-17-9-4-2-7-15(17)16-8-3-5-10-18(16)19/h2-11,19H,12-13H2,1H3,(H,24,28)(H,26,27)
InChIKeyDLPDRHNPCWITGF-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.70
Rot. Bonds6

About 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 169469614) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID169469614
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1C(=O)O
InChIInChI=1S/C23H20N2O4S/c1-14-21(22(26)27)30-20(25-14)11-6-12-24-23(28)29-13-19-17-9-4-2-7-15(17)16-8-3-5-10-18(16)19/h2-11,19H,12-13H2,1H3,(H,24,28)(H,26,27)
InChIKeyDLPDRHNPCWITGF-UHFFFAOYSA-N
XLogP4.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid
CID 169469291
9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469647
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-ynyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 170460811
9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate
CID 169468972
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
CID 169469467
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
CID 169468939
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 169469614) is 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1C(=O)O.
What is the InChIKey of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DLPDRHNPCWITGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-14-21(22(26)27)30-20(25-14)11-6-12-24-23(28)29-13-19-17-9-4-2-7-15(17)16-8-3-5-10-18(16)19/h2-11,19H,12-13H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 420.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 169469614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).