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

C26H25N3O5S — CID 165494621

IUPAC2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2csc(NC(=O)OCC3c4ccccc4-c4ccccc43)n2)CC1
InChIInChI=1S/C26H25N3O5S/c30-23(31)13-16-9-11-29(12-10-16)24(32)22-15-35-25(27-22)28-26(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,30,31)(H,27,28,33)
InChIKeyRELHNKHWNLMXDM-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.83
Rot. Bonds6

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

2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 165494621) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid
PubChem CID165494621
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2csc(NC(=O)OCC3c4ccccc4-c4ccccc43)n2)CC1
InChIInChI=1S/C26H25N3O5S/c30-23(31)13-16-9-11-29(12-10-16)24(32)22-15-35-25(27-22)28-26(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,30,31)(H,27,28,33)
InChIKeyRELHNKHWNLMXDM-UHFFFAOYSA-N
XLogP4.83
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid with MolForge

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Related Compounds

4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 165484684
methyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoate
CID 80655207
2-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropyl]-1,3-thiazole-4-carboxylic acid
CID 11418797
methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 16948133
9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate
CID 146022304
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79612699
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 165483985
1-[2-(naphthalen-1-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 1096741
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid
CID 166000513

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid (CID 165494621) is 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2csc(NC(=O)OCC3c4ccccc4-c4ccccc43)n2)CC1.
What is the InChIKey of 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid?
The InChIKey is RELHNKHWNLMXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c30-23(31)13-16-9-11-29(12-10-16)24(32)22-15-35-25(27-22)28-26(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,30,31)(H,27,28,33).
What are the key properties of 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid?
2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 491.57 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 165494621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).