methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate

C23H22N2O4S — CID 80655207

IUPACmethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate
SMILESCOC(=O)CCCc1csc(NC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C23H22N2O4S/c1-28-21(26)12-6-7-15-14-30-22(24-15)25-23(27)29-13-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,14,20H,6-7,12-13H2,1H3,(H,24,25,27)
InChIKeyVZZAKDATOCEVNZ-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.00
Rot. Bonds7

About methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate

methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate (PubChem CID 80655207) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate
PubChem CID80655207
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Namemethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate
SMILESCOC(=O)CCCc1csc(NC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C23H22N2O4S/c1-28-21(26)12-6-7-15-14-30-22(24-15)25-23(27)29-13-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,14,20H,6-7,12-13H2,1H3,(H,24,25,27)
InChIKeyVZZAKDATOCEVNZ-UHFFFAOYSA-N
XLogP5.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate with MolForge

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]propanoic acid
CID 172529353
4-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655489
2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 165494621
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 165484684
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methylsulfanylamino]butanoate
CID 59336391
ethyl 4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoate
CID 18322926
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 177268739
9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate
CID 146022304
4-[2-(2,2,2-trifluoroethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656087
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962610
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 18671420

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate?
The IUPAC name of methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate (CID 80655207) is methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate.
What is the SMILES notation for methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate?
The canonical SMILES for methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate is COC(=O)CCCc1csc(NC(=O)OCC2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate?
The InChIKey is VZZAKDATOCEVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-28-21(26)12-6-7-15-14-30-22(24-15)25-23(27)29-13-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,14,20H,6-7,12-13H2,1H3,(H,24,25,27).
What are the key properties of methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate?
methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate has a molecular weight of 422.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate is sourced from PubChem (CID 80655207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).