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

C13H23N3S — CID 106623603

IUPACN-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nccs1)CC1CCCCN1
InChIInChI=1S/C13H23N3S/c1-2-8-16(11-13-15-7-9-17-13)10-12-5-3-4-6-14-12/h7,9,12,14H,2-6,8,10-11H2,1H3
InChIKeySQDKLYPTJUFCSW-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.50
Rot. Bonds6

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

N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (PubChem CID 106623603) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
PubChem CID106623603
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nccs1)CC1CCCCN1
InChIInChI=1S/C13H23N3S/c1-2-8-16(11-13-15-7-9-17-13)10-12-5-3-4-6-14-12/h7,9,12,14H,2-6,8,10-11H2,1H3
InChIKeySQDKLYPTJUFCSW-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106604608
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 106635856
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635789
N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636023
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 106635842
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 112755518
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (CID 106623603) is N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is CCCN(Cc1nccs1)CC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The InChIKey is SQDKLYPTJUFCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-2-8-16(11-13-15-7-9-17-13)10-12-5-3-4-6-14-12/h7,9,12,14H,2-6,8,10-11H2,1H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106623603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).