2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol

C12H22N2OS — CID 56790951

IUPAC2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
SMILESCCCc1nc(CN(C)CC(C)(C)O)cs1
InChIInChI=1S/C12H22N2OS/c1-5-6-11-13-10(8-16-11)7-14(4)9-12(2,3)15/h8,15H,5-7,9H2,1-4H3
InChIKeyXRUCBWKQQWSJGF-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.30
Rot. Bonds6

About 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol

2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 56790951) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
PubChem CID56790951
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
SMILESCCCc1nc(CN(C)CC(C)(C)O)cs1
InChIInChI=1S/C12H22N2OS/c1-5-6-11-13-10(8-16-11)7-14(4)9-12(2,3)15/h8,15H,5-7,9H2,1-4H3
InChIKeyXRUCBWKQQWSJGF-UHFFFAOYSA-N
XLogP2.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol 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-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (CID 56790951) is 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is CCCc1nc(CN(C)CC(C)(C)O)cs1.
What is the InChIKey of 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The InChIKey is XRUCBWKQQWSJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-6-11-13-10(8-16-11)7-14(4)9-12(2,3)15/h8,15H,5-7,9H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 56790951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).