N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine

C16H22N2OS — CID 82548384

IUPACN-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1cc2sc(NC3CCCC3)nc2cc1C
InChIInChI=1S/C16H22N2OS/c1-3-8-19-14-10-15-13(9-11(14)2)18-16(20-15)17-12-6-4-5-7-12/h9-10,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyPCXADTCHUDBEEJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.75
Rot. Bonds5

About N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine

N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine (PubChem CID 82548384) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine
PubChem CID82548384
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1cc2sc(NC3CCCC3)nc2cc1C
InChIInChI=1S/C16H22N2OS/c1-3-8-19-14-10-15-13(9-11(14)2)18-16(20-15)17-12-6-4-5-7-12/h9-10,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyPCXADTCHUDBEEJ-UHFFFAOYSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine (CID 82548384) is N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine is CCCOc1cc2sc(NC3CCCC3)nc2cc1C.
What is the InChIKey of N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine?
The InChIKey is PCXADTCHUDBEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-8-19-14-10-15-13(9-11(14)2)18-16(20-15)17-12-6-4-5-7-12/h9-10,12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine?
N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-6-propoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).