(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol

C11H21N3OS — CID 103735392

IUPAC(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cnc(N(C)C)s1
InChIInChI=1S/C11H21N3OS/c1-8(2)10(7-15)12-5-9-6-13-11(16-9)14(3)4/h6,8,10,12,15H,5,7H2,1-4H3/t10-/m1/s1
InChIKeyYLRAXSUPXDZKHM-SNVBAGLBSA-N
MW243.38 g/mol
LogP1.32
Rot. Bonds6

About (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol

(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol (PubChem CID 103735392) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol
PubChem CID103735392
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cnc(N(C)C)s1
InChIInChI=1S/C11H21N3OS/c1-8(2)10(7-15)12-5-9-6-13-11(16-9)14(3)4/h6,8,10,12,15H,5,7H2,1-4H3/t10-/m1/s1
InChIKeyYLRAXSUPXDZKHM-SNVBAGLBSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol (CID 103735392) is (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCc1cnc(N(C)C)s1.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol?
The InChIKey is YLRAXSUPXDZKHM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(2)10(7-15)12-5-9-6-13-11(16-9)14(3)4/h6,8,10,12,15H,5,7H2,1-4H3/t10-/m1/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol?
(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol has a molecular weight of 243.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 103735392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).