4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid

C15H21NO3S — CID 114360159

IUPAC4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid
SMILESCOC1(c2nc(C3CC3)c(C(=O)O)s2)CCC(C)CC1
InChIInChI=1S/C15H21NO3S/c1-9-5-7-15(19-2,8-6-9)14-16-11(10-3-4-10)12(20-14)13(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyQWLOOHXXNFBLEN-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.77
Rot. Bonds4

About 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360159) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360159
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid
SMILESCOC1(c2nc(C3CC3)c(C(=O)O)s2)CCC(C)CC1
InChIInChI=1S/C15H21NO3S/c1-9-5-7-15(19-2,8-6-9)14-16-11(10-3-4-10)12(20-14)13(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyQWLOOHXXNFBLEN-UHFFFAOYSA-N
XLogP3.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359570
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360222
2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358517
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine-5-carboxylic acid
CID 116775134
4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360216
2-(1-methoxy-4-methylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 116774217
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine
CID 114361948
4-cyclopropyl-2-[(2-methoxyethylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114358688
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid (CID 114360159) is 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid is COC1(c2nc(C3CC3)c(C(=O)O)s2)CCC(C)CC1.
What is the InChIKey of 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is QWLOOHXXNFBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-9-5-7-15(19-2,8-6-9)14-16-11(10-3-4-10)12(20-14)13(17)18/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).