2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid

C14H20N2O2S — CID 46863389

IUPAC2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1cs/c(=N\C2CCCCCC2)n1C1CC1
InChIInChI=1S/C14H20N2O2S/c17-13(18)12-9-19-14(16(12)11-7-8-11)15-10-5-3-1-2-4-6-10/h9-11H,1-8H2,(H,17,18)/b15-14-
InChIKeyRMEPEKIZMNCBKA-PFONDFGASA-N
MW280.39 g/mol
LogP3.21
Rot. Bonds3

About 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid

2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid (PubChem CID 46863389) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid
PubChem CID46863389
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1cs/c(=N\C2CCCCCC2)n1C1CC1
InChIInChI=1S/C14H20N2O2S/c17-13(18)12-9-19-14(16(12)11-7-8-11)15-10-5-3-1-2-4-6-10/h9-11H,1-8H2,(H,17,18)/b15-14-
InChIKeyRMEPEKIZMNCBKA-PFONDFGASA-N
XLogP3.21
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-2-hydroxybenzoic acid
CID 137166391
ethyl 2-(2-cycloheptylimino-3-cyclopropyl-5-methyl-1,3-thiazol-4-yl)acetate
CID 46863274
N-(1-adamantyl)-2-(2-cycloheptylimino-3-propyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 53258389
2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 1280324
2-[(2-cycloheptylimino-3-ethyl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione;hydrobromide
CID 46863518
N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122057
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 25119955
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 25119605
[4-[2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate
CID 5201414
[4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate
CID 6299482
4-[(E)-(2-cyclohexylimino-4-cyclopropyl-1,3-thiazol-3-yl)iminomethyl]-6-nitrosobenzene-1,3-diol
CID 137289071
N-[(4-chlorophenyl)methyl]-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122055

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid (CID 46863389) is 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1cs/c(=N\C2CCCCCC2)n1C1CC1.
What is the InChIKey of 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is RMEPEKIZMNCBKA-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-13(18)12-9-19-14(16(12)11-7-8-11)15-10-5-3-1-2-4-6-10/h9-11H,1-8H2,(H,17,18)/b15-14-.
What are the key properties of 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid?
2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 280.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-3-cyclopropyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 46863389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).