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

C17H25N3S — CID 106635789

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc2ccccc2s1)CC1CCCCN1
InChIInChI=1S/C17H25N3S/c1-2-11-20(12-14-7-5-6-10-18-14)13-17-19-15-8-3-4-9-16(15)21-17/h3-4,8-9,14,18H,2,5-7,10-13H2,1H3
InChIKeyKRGMJJDZJXLIJH-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.65
Rot. Bonds6

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

N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106635789) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106635789
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc2ccccc2s1)CC1CCCCN1
InChIInChI=1S/C17H25N3S/c1-2-11-20(12-14-7-5-6-10-18-14)13-17-19-15-8-3-4-9-16(15)21-17/h3-4,8-9,14,18H,2,5-7,10-13H2,1H3
InChIKeyKRGMJJDZJXLIJH-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 106623603
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 106635842
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70744158
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635930
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 112755518
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 106635856
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106635789) is N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(Cc1nc2ccccc2s1)CC1CCCCN1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is KRGMJJDZJXLIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-11-20(12-14-7-5-6-10-18-14)13-17-19-15-8-3-4-9-16(15)21-17/h3-4,8-9,14,18H,2,5-7,10-13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 3.65, 6 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)-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106635789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).