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

C16H29N3OS — CID 65467117

IUPAC2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(COCC2CCCCN2C)cs1
InChIInChI=1S/C16H29N3OS/c1-13(2)8-17-9-16-18-14(12-21-16)10-20-11-15-6-4-5-7-19(15)3/h12-13,15,17H,4-11H2,1-3H3
InChIKeyYOQBTWZECBPKSE-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.89
Rot. Bonds8

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

2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 65467117) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID65467117
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(COCC2CCCCN2C)cs1
InChIInChI=1S/C16H29N3OS/c1-13(2)8-17-9-16-18-14(12-21-16)10-20-11-15-6-4-5-7-19(15)3/h12-13,15,17H,4-11H2,1-3H3
InChIKeyYOQBTWZECBPKSE-UHFFFAOYSA-N
XLogP2.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62446351
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82007021
2-methyl-N-[[4-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 82792325
2-methyl-N-[[4-(3,3,3-trifluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 82958187
3-[2-Fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine
CID 113462390
4-(methoxymethyl)-2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 57513092
4-(Methoxymethyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 69789614
4-(Ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole
CID 120558227
2-(1-Cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane
CID 143779381
Ethane;4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole
CID 143779383
2-Methyl-4-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 43167825
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpentan-1-amine
CID 43210206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 65467117) is 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nc(COCC2CCCCN2C)cs1.
What is the InChIKey of 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is YOQBTWZECBPKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-13(2)8-17-9-16-18-14(12-21-16)10-20-11-15-6-4-5-7-19(15)3/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65467117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).