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

C16H29N3OS — CID 102968523

IUPACN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1CN(c2nc(C)c(CNC(C)(C)C)s2)CCC1C
InChIInChI=1S/C16H29N3OS/c1-11-7-8-19(10-13(11)20-6)15-18-12(2)14(21-15)9-17-16(3,4)5/h11,13,17H,7-10H2,1-6H3
InChIKeyRFYLOXAMJRLMRM-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.20
Rot. Bonds4

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

N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 102968523) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID102968523
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1CN(c2nc(C)c(CNC(C)(C)C)s2)CCC1C
InChIInChI=1S/C16H29N3OS/c1-11-7-8-19(10-13(11)20-6)15-18-12(2)14(21-15)9-17-16(3,4)5/h11,13,17H,7-10H2,1-6H3
InChIKeyRFYLOXAMJRLMRM-UHFFFAOYSA-N
XLogP3.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763985
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62967794
1-[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102968508
1-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464653
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62930842
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 102968507
N-[[4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968519
[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 102968522
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62768888
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381277
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968411
N-methyl-1-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764135

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 102968523) is N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is COC1CN(c2nc(C)c(CNC(C)(C)C)s2)CCC1C.
What is the InChIKey of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RFYLOXAMJRLMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-11-7-8-19(10-13(11)20-6)15-18-12(2)14(21-15)9-17-16(3,4)5/h11,13,17H,7-10H2,1-6H3.
What are the key properties of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102968523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).