propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate

C16H20N2O2S — CID 82549744

IUPACpropyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate
SMILESCCCOC(=O)c1ccc2nc(NC3CCCC3)sc2c1
InChIInChI=1S/C16H20N2O2S/c1-2-9-20-15(19)11-7-8-13-14(10-11)21-16(18-13)17-12-5-3-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,17,18)
InChIKeyISVFUNRRHOFIBQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.22
Rot. Bonds5

About propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate

propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate (PubChem CID 82549744) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namepropyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate
PubChem CID82549744
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Namepropyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate
SMILESCCCOC(=O)c1ccc2nc(NC3CCCC3)sc2c1
InChIInChI=1S/C16H20N2O2S/c1-2-9-20-15(19)11-7-8-13-14(10-11)21-16(18-13)17-12-5-3-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,17,18)
InChIKeyISVFUNRRHOFIBQ-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 2-(cyclopentylamino)-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

2-methylpropyl 2-(cyclohexylamino)-1,3-benzothiazole-6-carboxylate
CID 82549738
2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 154653472
propyl 2-(benzylamino)-1,3-benzothiazole-6-carboxylate
CID 82549746
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-benzothiazole-6-carboxylate
CID 86612184
butyl 2-(ethylamino)-1,3-benzothiazole-6-carboxylate
CID 82549191
methyl 2-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-1,3-benzothiazole-6-carboxylate
CID 138048072
ethyl 2-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzothiazole-6-carboxylate
CID 86612185
2-ethoxyethyl 2-(propylamino)-1,3-benzothiazole-6-carboxylate
CID 82549183
butyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17127846
N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548384
methyl 2-(cyclohexylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate
CID 126194394
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885

Frequently Asked Questions

What is the IUPAC name of propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate?
The IUPAC name of propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate (CID 82549744) is propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate is CCCOC(=O)c1ccc2nc(NC3CCCC3)sc2c1.
What is the InChIKey of propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate?
The InChIKey is ISVFUNRRHOFIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-9-20-15(19)11-7-8-13-14(10-11)21-16(18-13)17-12-5-3-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,17,18).
What are the key properties of propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate?
propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate has a molecular weight of 304.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 82549744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).