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

C15H27N3S — CID 55069860

IUPACN-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CN2CCCC(C)C2C)cs1
InChIInChI=1S/C15H27N3S/c1-11(2)16-8-15-17-14(10-19-15)9-18-7-5-6-12(3)13(18)4/h10-13,16H,5-9H2,1-4H3
InChIKeyRRBIJOHLWGIFMF-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.26
Rot. Bonds5

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

N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 55069860) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID55069860
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CN2CCCC(C)C2C)cs1
InChIInChI=1S/C15H27N3S/c1-11(2)16-8-15-17-14(10-19-15)9-18-7-5-6-12(3)13(18)4/h10-13,16H,5-9H2,1-4H3
InChIKeyRRBIJOHLWGIFMF-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
1-((1,3-Thiazol-4-yl)methyl)piperidin-4-amine
CID 43556525
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
CID 53523916
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidine
CID 5019947
4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
3-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 24261803
4-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261827
4-[(4-Ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 51086499
1-methylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 53512877
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519126
3-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261805

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 55069860) is N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(CN2CCCC(C)C2C)cs1.
What is the InChIKey of N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is RRBIJOHLWGIFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(2)16-8-15-17-14(10-19-15)9-18-7-5-6-12(3)13(18)4/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55069860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).