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

C16H29N3OS — CID 62391151

IUPACN-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCc1nc(CN(C)CC2(CNC(C)C)CCOCC2)cs1
InChIInChI=1S/C16H29N3OS/c1-13(2)17-11-16(5-7-20-8-6-16)12-19(4)9-15-10-21-14(3)18-15/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyRUIXUMKBPQSUFZ-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.68
Rot. Bonds7

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

N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 62391151) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID62391151
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCc1nc(CN(C)CC2(CNC(C)C)CCOCC2)cs1
InChIInChI=1S/C16H29N3OS/c1-13(2)17-11-16(5-7-20-8-6-16)12-19(4)9-15-10-21-14(3)18-15/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyRUIXUMKBPQSUFZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-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 N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine (CID 62391151) is N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine is Cc1nc(CN(C)CC2(CNC(C)C)CCOCC2)cs1.
What is the InChIKey of N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is RUIXUMKBPQSUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-13(2)17-11-16(5-7-20-8-6-16)12-19(4)9-15-10-21-14(3)18-15/h10,13,17H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 311.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62391151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).