N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine

C14H18N2OS — CID 114097893

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine
SMILESc1ccc2sc(CNCCOCC3CC3)nc2c1
InChIInChI=1S/C14H18N2OS/c1-2-4-13-12(3-1)16-14(18-13)9-15-7-8-17-10-11-5-6-11/h1-4,11,15H,5-10H2
InChIKeyRUSDUXKNXPONRZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.81
Rot. Bonds7

About N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine

N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine (PubChem CID 114097893) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine
PubChem CID114097893
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine
SMILESc1ccc2sc(CNCCOCC3CC3)nc2c1
InChIInChI=1S/C14H18N2OS/c1-2-4-13-12(3-1)16-14(18-13)9-15-7-8-17-10-11-5-6-11/h1-4,11,15H,5-10H2
InChIKeyRUSDUXKNXPONRZ-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxypropan-1-amine
CID 60672423
1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 103782827
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
N-(1,3-benzothiazol-2-ylmethyl)-2-phenylethanamine
CID 28665156
4-(1,3-benzothiazol-2-ylmethylamino)butan-1-ol
CID 83961861
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-4-methoxybutan-1-amine
CID 106242705
4-(1,3-benzothiazol-2-ylmethylamino)butan-2-ol
CID 64912246
3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80553613
(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95606777
2-(1,3-benzothiazol-2-ylmethylamino)ethylurea
CID 83121596

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine (CID 114097893) is N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine is c1ccc2sc(CNCCOCC3CC3)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine?
The InChIKey is RUSDUXKNXPONRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-4-13-12(3-1)16-14(18-13)9-15-7-8-17-10-11-5-6-11/h1-4,11,15H,5-10H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine?
N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine is sourced from PubChem (CID 114097893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).