N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine

C14H18N2OS — CID 79147030

IUPACN-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCOC1CCCC1Nc1nc2c(C)cccc2s1
InChIInChI=1S/C14H18N2OS/c1-9-5-3-8-12-13(9)16-14(18-12)15-10-6-4-7-11(10)17-2/h3,5,8,10-11H,4,6-7H2,1-2H3,(H,15,16)
InChIKeyBPMBZLWZJZSMHL-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.58
Rot. Bonds3

About N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine

N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 79147030) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID79147030
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCOC1CCCC1Nc1nc2c(C)cccc2s1
InChIInChI=1S/C14H18N2OS/c1-9-5-3-8-12-13(9)16-14(18-12)15-10-6-4-7-11(10)17-2/h3,5,8,10-11H,4,6-7H2,1-2H3,(H,15,16)
InChIKeyBPMBZLWZJZSMHL-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine (CID 79147030) is N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine is COC1CCCC1Nc1nc2c(C)cccc2s1.
What is the InChIKey of N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is BPMBZLWZJZSMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-3-8-12-13(9)16-14(18-12)15-10-6-4-7-11(10)17-2/h3,5,8,10-11H,4,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79147030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).