[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine

C12H21N3S — CID 82515255

IUPAC[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESCC1CCN(CCc2nc(CN)cs2)CC1
InChIInChI=1S/C12H21N3S/c1-10-2-5-15(6-3-10)7-4-12-14-11(8-13)9-16-12/h9-10H,2-8,13H2,1H3
InChIKeyVHPVSVYCNHGNPB-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.88
Rot. Bonds4

About [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine

[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 82515255) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
PubChem CID82515255
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESCC1CCN(CCc2nc(CN)cs2)CC1
InChIInChI=1S/C12H21N3S/c1-10-2-5-15(6-3-10)7-4-12-14-11(8-13)9-16-12/h9-10H,2-8,13H2,1H3
InChIKeyVHPVSVYCNHGNPB-UHFFFAOYSA-N
XLogP1.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
CID 82193993
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
CID 43138386
4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 63973702
[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088816
2-[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetonitrile
CID 82515282
N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82515522
1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115089637
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
N-methyl-1-[4-[(4-methylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 63626664
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine (CID 82515255) is [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine is CC1CCN(CCc2nc(CN)cs2)CC1.
What is the InChIKey of [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is VHPVSVYCNHGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-2-5-15(6-3-10)7-4-12-14-11(8-13)9-16-12/h9-10H,2-8,13H2,1H3.
What are the key properties of [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine?
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82515255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).