4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine

C15H16N2O2S — CID 8961741

IUPAC4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine
SMILESc1cc2c(cc1-c1csc(NC3CCCC3)n1)OCO2
InChIInChI=1S/C15H16N2O2S/c1-2-4-11(3-1)16-15-17-12(8-20-15)10-5-6-13-14(7-10)19-9-18-13/h5-8,11H,1-4,9H2,(H,16,17)
InChIKeyRUYXYXXJLRQOLQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.89
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine

4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine (PubChem CID 8961741) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine
PubChem CID8961741
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine
SMILESc1cc2c(cc1-c1csc(NC3CCCC3)n1)OCO2
InChIInChI=1S/C15H16N2O2S/c1-2-4-11(3-1)16-15-17-12(8-20-15)10-5-6-13-14(7-10)19-9-18-13/h5-8,11H,1-4,9H2,(H,16,17)
InChIKeyRUYXYXXJLRQOLQ-UHFFFAOYSA-N
XLogP3.89
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 41364782
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 51189301
(2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376218
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376221
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1,3-thiazol-2-amine
CID 9441746
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2329444
4-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541943
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
4-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910672
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 5079800
4-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17452911
(2S,5R)-5-(aminomethyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783938

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine (CID 8961741) is 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine is c1cc2c(cc1-c1csc(NC3CCCC3)n1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine?
The InChIKey is RUYXYXXJLRQOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-4-11(3-1)16-15-17-12(8-20-15)10-5-6-13-14(7-10)19-9-18-13/h5-8,11H,1-4,9H2,(H,16,17).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine?
4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8961741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).