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

C17H31N3S — CID 83044336

IUPAC2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCC1CCCCN1Cc1csc(CNCC(C)C)n1
InChIInChI=1S/C17H31N3S/c1-4-7-16-8-5-6-9-20(16)12-15-13-21-17(19-15)11-18-10-14(2)3/h13-14,16,18H,4-12H2,1-3H3
InChIKeyIONWVZDTXLLJOZ-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.04
Rot. Bonds8

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

2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 83044336) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID83044336
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCC1CCCCN1Cc1csc(CNCC(C)C)n1
InChIInChI=1S/C17H31N3S/c1-4-7-16-8-5-6-9-20(16)12-15-13-21-17(19-15)11-18-10-14(2)3/h13-14,16,18H,4-12H2,1-3H3
InChIKeyIONWVZDTXLLJOZ-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83046678
1-[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 83055721
N-[[4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 104692365
2-methyl-N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 103503363
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 83222111
2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65467117
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62027339
2-methyl-N-[[4-(thiomorpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62418455
N-[[4-(cycloheptyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459671
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62432430
N-(2-methylpropyl)-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 83044336) is 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCC1CCCCN1Cc1csc(CNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is IONWVZDTXLLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-4-7-16-8-5-6-9-20(16)12-15-13-21-17(19-15)11-18-10-14(2)3/h13-14,16,18H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 83044336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).