N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine

C16H23N3OS — CID 136558932

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCC1(NCc2nc3ccccc3s2)CCNCC1
InChIInChI=1S/C16H23N3OS/c1-20-11-8-16(6-9-17-10-7-16)18-12-15-19-13-4-2-3-5-14(13)21-15/h2-5,17-18H,6-12H2,1H3
InChIKeyVYYYEVRZYMBBNX-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.54
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine

N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine (PubChem CID 136558932) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine
PubChem CID136558932
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCC1(NCc2nc3ccccc3s2)CCNCC1
InChIInChI=1S/C16H23N3OS/c1-20-11-8-16(6-9-17-10-7-16)18-12-15-19-13-4-2-3-5-14(13)21-15/h2-5,17-18H,6-12H2,1H3
InChIKeyVYYYEVRZYMBBNX-UHFFFAOYSA-N
XLogP2.54
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430
1-(1,3-benzothiazol-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255133
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119684955
N-(1,3-benzothiazol-2-ylmethyl)-1-methoxy-2-methylpropan-2-amine
CID 115747923
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
3-(1,3-benzothiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70757949
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;dihydrochloride
CID 154888904
1-(1,3-benzothiazol-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 114099950

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine (CID 136558932) is N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine is COCCC1(NCc2nc3ccccc3s2)CCNCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is VYYYEVRZYMBBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-20-11-8-16(6-9-17-10-7-16)18-12-15-19-13-4-2-3-5-14(13)21-15/h2-5,17-18H,6-12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine?
N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 136558932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).