N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine

C14H18N2OS — CID 113263918

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine
SMILESCOCCC1(CNc2snc3ccccc23)CC1
InChIInChI=1S/C14H18N2OS/c1-17-9-8-14(6-7-14)10-15-13-11-4-2-3-5-12(11)16-18-13/h2-5,15H,6-10H2,1H3
InChIKeyVJMZYPRPPNFXQL-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.52
Rot. Bonds6

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine (PubChem CID 113263918) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine
PubChem CID113263918
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine
SMILESCOCCC1(CNc2snc3ccccc23)CC1
InChIInChI=1S/C14H18N2OS/c1-17-9-8-14(6-7-14)10-15-13-11-4-2-3-5-12(11)16-18-13/h2-5,15H,6-10H2,1H3
InChIKeyVJMZYPRPPNFXQL-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine (CID 113263918) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine is COCCC1(CNc2snc3ccccc23)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine?
The InChIKey is VJMZYPRPPNFXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-17-9-8-14(6-7-14)10-15-13-11-4-2-3-5-12(11)16-18-13/h2-5,15H,6-10H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine has a molecular weight of 262.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine is sourced from PubChem (CID 113263918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).