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

C16H29N3OS — CID 62255910

IUPAC2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCc1nc(CN(C)CC2(CNCC(C)C)CCOC2)cs1
InChIInChI=1S/C16H29N3OS/c1-13(2)7-17-10-16(5-6-20-12-16)11-19(4)8-15-9-21-14(3)18-15/h9,13,17H,5-8,10-12H2,1-4H3
InChIKeyPNXNDQVJOJKOHQ-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.54
Rot. Bonds8

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

2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62255910) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62255910
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCc1nc(CN(C)CC2(CNCC(C)C)CCOC2)cs1
InChIInChI=1S/C16H29N3OS/c1-13(2)7-17-10-16(5-6-20-12-16)11-19(4)8-15-9-21-14(3)18-15/h9,13,17H,5-8,10-12H2,1-4H3
InChIKeyPNXNDQVJOJKOHQ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine (CID 62255910) is 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine is Cc1nc(CN(C)CC2(CNCC(C)C)CCOC2)cs1.
What is the InChIKey of 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is PNXNDQVJOJKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-13(2)7-17-10-16(5-6-20-12-16)11-19(4)8-15-9-21-14(3)18-15/h9,13,17H,5-8,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62255910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).