2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid

C16H26N2O2S — CID 114358527

IUPAC2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
SMILESCCC1CCC(N)(c2nc(C(C)(C)C)c(C(=O)O)s2)CC1
InChIInChI=1S/C16H26N2O2S/c1-5-10-6-8-16(17,9-7-10)14-18-12(15(2,3)4)11(21-14)13(19)20/h10H,5-9,17H2,1-4H3,(H,19,20)
InChIKeyUCCVLMANOCKLNB-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.89
Rot. Bonds3

About 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid

2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114358527) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
PubChem CID114358527
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
SMILESCCC1CCC(N)(c2nc(C(C)(C)C)c(C(=O)O)s2)CC1
InChIInChI=1S/C16H26N2O2S/c1-5-10-6-8-16(17,9-7-10)14-18-12(15(2,3)4)11(21-14)13(19)20/h10H,5-9,17H2,1-4H3,(H,19,20)
InChIKeyUCCVLMANOCKLNB-UHFFFAOYSA-N
XLogP3.89
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840711
4-tert-butyl-2-[cyclopropyl(ethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765619
2-(1-aminocycloheptyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840677
4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine
CID 79908327
4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61338476
4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid
CID 107925329
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine
CID 61292667
4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62040434
4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722
4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboxylic acid
CID 82227339
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
CID 63526086

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid (CID 114358527) is 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid is CCC1CCC(N)(c2nc(C(C)(C)C)c(C(=O)O)s2)CC1.
What is the InChIKey of 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UCCVLMANOCKLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-10-6-8-16(17,9-7-10)14-18-12(15(2,3)4)11(21-14)13(19)20/h10H,5-9,17H2,1-4H3,(H,19,20).
What are the key properties of 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid?
2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-ethylcyclohexyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).