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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Related Compounds

N-((tetrahydrofuran-2-yl)methyl)benzo[d]thiazol-2-amine
CID 3761548
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 4877185
N-(4-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 2963304
(2R,3R,4S)-1-[(2-amino-1,3-benzothiazol-4-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 52945112
N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanamide
CID 168296831
N-[5-(tetrahydrofuran-2-ylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-1,3-benzothiazol-2-amine
CID 4888815
N-ethyl-4-methyl-1,3-benzothiazol-2-amine
CID 2376040
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6620260
6-methyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 33680154
N-benzyl-4-methyl-1,3-benzothiazol-2-amine
CID 2375889
1-(4-methyl-1,3-benzothiazol-2-yl)-3-[(1R)-1-phenylethyl]thiourea
CID 5742690
2-(2-methoxyethoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 40103106

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).