2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C14H20N2O3S — CID 43235067

IUPAC2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCc1csc(NC(=O)CC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H20N2O3S/c1-10-9-20-13(15-10)16-11(17)7-14(8-12(18)19)5-3-2-4-6-14/h9H,2-8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyOYOODTVLXVEFLT-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.21
Rot. Bonds5

About 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43235067) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43235067
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCc1csc(NC(=O)CC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H20N2O3S/c1-10-9-20-13(15-10)16-11(17)7-14(8-12(18)19)5-3-2-4-6-14/h9H,2-8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyOYOODTVLXVEFLT-UHFFFAOYSA-N
XLogP3.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070753
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 65486610
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293
2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 17349285
2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114931870
2-[1-[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86972048
2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51098350
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839667

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 43235067) is 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is Cc1csc(NC(=O)CC2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is OYOODTVLXVEFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-9-20-13(15-10)16-11(17)7-14(8-12(18)19)5-3-2-4-6-14/h9H,2-8H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 296.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).