2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid

C14H20N2O3S — CID 62198087

IUPAC2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2cscn2)CCCCC1
InChIInChI=1S/C14H20N2O3S/c17-12(15-8-11-9-20-10-16-11)6-14(7-13(18)19)4-2-1-3-5-14/h9-10H,1-8H2,(H,15,17)(H,18,19)
InChIKeyUDHGSWLQCDRPIQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.57
Rot. Bonds6

About 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid

2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid (PubChem CID 62198087) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
PubChem CID62198087
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2cscn2)CCCCC1
InChIInChI=1S/C14H20N2O3S/c17-12(15-8-11-9-20-10-16-11)6-14(7-13(18)19)4-2-1-3-5-14/h9-10H,1-8H2,(H,15,17)(H,18,19)
InChIKeyUDHGSWLQCDRPIQ-UHFFFAOYSA-N
XLogP2.57
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexane-1-carboxylate
CID 75504140
3-[[4-(Trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120281952
1-[[Methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55055410
4-(1,3-Thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 55142728
2-Cyclohexyl-2-(1,3-thiazole-4-carbonylamino)acetic acid
CID 55143111
3,3-Dimethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 55155007
3,3-Dimethyl-5-oxo-5-(1,3-thiazol-4-ylmethylamino)pentanoic acid
CID 55220641
3-[Methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235018
3-[(2-Methyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55237342
1-(1,3-Thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55260669
4-(1,3-Thiazol-4-ylmethylamino)cyclohexane-1-carboxylic acid
CID 60809695
1-[2-[(4-Methyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61043838

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid (CID 62198087) is 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCc2cscn2)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid?
The InChIKey is UDHGSWLQCDRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-12(15-8-11-9-20-10-16-11)6-14(7-13(18)19)4-2-1-3-5-14/h9-10H,1-8H2,(H,15,17)(H,18,19).
What are the key properties of 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid?
2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid has a molecular weight of 296.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 62198087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).