2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid

C17H19ClN2O2S — CID 4880083

IUPAC2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(NC2CCCCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c18-12-8-6-11(7-9-12)16-14(10-15(21)22)23-17(20-16)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,19,20)(H,21,22)
InChIKeyYLXSPWQOUOVTHX-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.84
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid

2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 4880083) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid
PubChem CID4880083
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(NC2CCCCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c18-12-8-6-11(7-9-12)16-14(10-15(21)22)23-17(20-16)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,19,20)(H,21,22)
InChIKeyYLXSPWQOUOVTHX-UHFFFAOYSA-N
XLogP4.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid (CID 4880083) is 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(NC2CCCCC2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is YLXSPWQOUOVTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-12-8-6-11(7-9-12)16-14(10-15(21)22)23-17(20-16)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 350.87 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-(cyclohexylamino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 4880083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).