N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

C16H29N3OS — CID 107395753

IUPACN-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(N2CCCC(C)(OC)C2)sc1CNCC
InChIInChI=1S/C16H29N3OS/c1-5-8-13-14(11-17-6-2)21-15(18-13)19-10-7-9-16(3,12-19)20-4/h17H,5-12H2,1-4H3
InChIKeySBYTXHGRLHQHEZ-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.21
Rot. Bonds7

About N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107395753) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107395753
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(N2CCCC(C)(OC)C2)sc1CNCC
InChIInChI=1S/C16H29N3OS/c1-5-8-13-14(11-17-6-2)21-15(18-13)19-10-7-9-16(3,12-19)20-4/h17H,5-12H2,1-4H3
InChIKeySBYTXHGRLHQHEZ-UHFFFAOYSA-N
XLogP3.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 107395732
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103540376
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510302
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[[2-(2,2-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510775
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510370
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766790
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 102746236
N-[[4-propyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114540518

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 107395753) is N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(N2CCCC(C)(OC)C2)sc1CNCC.
What is the InChIKey of N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SBYTXHGRLHQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-8-13-14(11-17-6-2)21-15(18-13)19-10-7-9-16(3,12-19)20-4/h17H,5-12H2,1-4H3.
What are the key properties of N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 311.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107395753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).