(4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate

C15H18N2O2S — CID 65348825

IUPAC(4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate
SMILESCC1CCC(OC(=O)c2ccc3nc(N)sc3c2)CC1
InChIInChI=1S/C15H18N2O2S/c1-9-2-5-11(6-3-9)19-14(18)10-4-7-12-13(8-10)20-15(16)17-12/h4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17)
InChIKeyHFNIGCYVXDYAAJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.61
Rot. Bonds2

About (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate

(4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate (PubChem CID 65348825) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate
PubChem CID65348825
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate
SMILESCC1CCC(OC(=O)c2ccc3nc(N)sc3c2)CC1
InChIInChI=1S/C15H18N2O2S/c1-9-2-5-11(6-3-9)19-14(18)10-4-7-12-13(8-10)20-15(16)17-12/h4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17)
InChIKeyHFNIGCYVXDYAAJ-UHFFFAOYSA-N
XLogP3.61
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylcyclohexyl) 4-amino-3-methylbenzoate
CID 61277831
ethyl 2-amino-1,3-benzothiazole-6-carboxylate;methanimine
CID 164572058
2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 3147262
2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349652
2-propoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348498
(4-methylcyclohexyl) 3-amino-4-fluorobenzoate
CID 61276815
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180940
[(2R)-1-methoxy-1-oxopropan-2-yl] 2-amino-1,3-benzothiazole-6-carboxylate
CID 40690252
(2-amino-1,3-benzothiazol-6-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65349298
(4-methylcyclohexyl) 3,5-diaminobenzoate
CID 61309628
2-propan-2-yloxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348925
(2-amino-1,3-benzothiazol-6-yl)-(2-methylpiperidin-1-yl)methanone
CID 43831279

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate (CID 65348825) is (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate is CC1CCC(OC(=O)c2ccc3nc(N)sc3c2)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate?
The InChIKey is HFNIGCYVXDYAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-2-5-11(6-3-9)19-14(18)10-4-7-12-13(8-10)20-15(16)17-12/h4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17).
What are the key properties of (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate?
(4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 65348825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).