N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine

C14H18N2OS — CID 82549533

IUPACN-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(C)c2sc(NC3CCCC3)nc12
InChIInChI=1S/C14H18N2OS/c1-9-7-8-11(17-2)12-13(9)18-14(16-12)15-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyPPIRZLARKSJXDU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.97
Rot. Bonds3

About N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine

N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549533) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
PubChem CID82549533
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(C)c2sc(NC3CCCC3)nc12
InChIInChI=1S/C14H18N2OS/c1-9-7-8-11(17-2)12-13(9)18-14(16-12)15-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyPPIRZLARKSJXDU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine
CID 82548927
4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3240926
cyclohexyl-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7292682
4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 84638955
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 56592918
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43961040
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-4-ylbenzenesulfinamide
CID 145359600
N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine
CID 82549515

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine (CID 82549533) is N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine is COc1ccc(C)c2sc(NC3CCCC3)nc12.
What is the InChIKey of N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine?
The InChIKey is PPIRZLARKSJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-7-8-11(17-2)12-13(9)18-14(16-12)15-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine?
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).