5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

C23H21ClN2O4S — CID 107125496

IUPAC5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ncc(Cl)s1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21ClN2O4S/c24-20-12-25-21(31-20)11-14(9-10-22(27)28)26-23(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,12,14,19H,9-11,13H2,(H,26,29)(H,27,28)
InChIKeyQKZZGIZSKYNNIY-UHFFFAOYSA-N
MW456.95 g/mol
LogP5.11
Rot. Bonds8

About 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (PubChem CID 107125496) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
PubChem CID107125496
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC Name5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ncc(Cl)s1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21ClN2O4S/c24-20-12-25-21(31-20)11-14(9-10-22(27)28)26-23(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,12,14,19H,9-11,13H2,(H,26,29)(H,27,28)
InChIKeyQKZZGIZSKYNNIY-UHFFFAOYSA-N
XLogP5.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.95
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
3-(5-chloro-1,3-thiazol-2-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 107124471
5-(3-chloro-5-fluorophenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 104928598
5-(4-bromo-5-methylthiophen-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 102844380
(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
CID 7010013
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(1H-indol-3-yl)pentanoic acid
CID 2756075
5-(4-bromo-3-methylphenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 103714200
3-(5-bromo-1,3-thiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 165485042
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylcyclohexyl)pentanoic acid
CID 103695951
3-(5-chlorothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103666211
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 2761612

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (CID 107125496) is 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is O=C(O)CCC(Cc1ncc(Cl)s1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The InChIKey is QKZZGIZSKYNNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c24-20-12-25-21(31-20)11-14(9-10-22(27)28)26-23(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,12,14,19H,9-11,13H2,(H,26,29)(H,27,28).
What are the key properties of 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid has a molecular weight of 456.95 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-thiazol-2-yl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 107125496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).