N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

C13H23N3S — CID 114421565

IUPACN-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCC1CC(C)CCN1)c1nccs1
InChIInChI=1S/C13H23N3S/c1-3-12(13-15-6-7-17-13)16-9-11-8-10(2)4-5-14-11/h6-7,10-12,14,16H,3-5,8-9H2,1-2H3
InChIKeyORFXOYPXXWYMSD-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 114421565) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID114421565
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCC1CC(C)CCN1)c1nccs1
InChIInChI=1S/C13H23N3S/c1-3-12(13-15-6-7-17-13)16-9-11-8-10(2)4-5-14-11/h6-7,10-12,14,16H,3-5,8-9H2,1-2H3
InChIKeyORFXOYPXXWYMSD-UHFFFAOYSA-N
XLogP2.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride
CID 120637143
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 102894599
2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 79384523
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 116521490
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
CID 79740776
1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82917675
N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79171502
N-[(1S)-2-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 174807948
2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
CID 79541546
2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine
CID 79167749
N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79888731

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (CID 114421565) is N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NCC1CC(C)CCN1)c1nccs1.
What is the InChIKey of N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is ORFXOYPXXWYMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-12(13-15-6-7-17-13)16-9-11-8-10(2)4-5-14-11/h6-7,10-12,14,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 114421565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).