1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol

C11H21N3OS — CID 115895822

IUPAC1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)c1cscn1
InChIInChI=1S/C11H21N3OS/c1-9(10-5-16-8-13-10)12-6-11(2,15)7-14(3)4/h5,8-9,12,15H,6-7H2,1-4H3
InChIKeyDIMMJXBIBSWTHA-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.11
Rot. Bonds6

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

1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol (PubChem CID 115895822) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
PubChem CID115895822
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(C)(O)CN(C)C)c1cscn1
InChIInChI=1S/C11H21N3OS/c1-9(10-5-16-8-13-10)12-6-11(2,15)7-14(3)4/h5,8-9,12,15H,6-7H2,1-4H3
InChIKeyDIMMJXBIBSWTHA-UHFFFAOYSA-N
XLogP1.11
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol (CID 115895822) is 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol is CC(NCC(C)(O)CN(C)C)c1cscn1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is DIMMJXBIBSWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(10-5-16-8-13-10)12-6-11(2,15)7-14(3)4/h5,8-9,12,15H,6-7H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 243.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 115895822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).