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

C12H21N3S — CID 62592830

IUPACN-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-10(2)14-9-11-3-6-15(7-4-11)12-13-5-8-16-12/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3
InChIKeyLAJAPBUQOXJZCP-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.36
Rot. Bonds4

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

N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 62592830) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID62592830
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-10(2)14-9-11-3-6-15(7-4-11)12-13-5-8-16-12/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3
InChIKeyLAJAPBUQOXJZCP-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62425655
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
N-(1-methylsulfanylpropan-2-yl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 75501339
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
(2-amino-2-oxoethyl) N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]carbamate
CID 68575186
N-(4-propan-2-yloxycyclohexyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 84596152
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine (CID 62592830) is N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine is CC(C)NCC1CCN(c2nccs2)CC1.
What is the InChIKey of N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is LAJAPBUQOXJZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(2)14-9-11-3-6-15(7-4-11)12-13-5-8-16-12/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62592830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).