3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol

C10H18N2OS — CID 112642589

IUPAC3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESCN(C)C(C)(C)C(O)Cc1cncs1
InChIInChI=1S/C10H18N2OS/c1-10(2,12(3)4)9(13)5-8-6-11-7-14-8/h6-7,9,13H,5H2,1-4H3
InChIKeyKLGDWDZVBRFRDB-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.39
Rot. Bonds4

About 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol

3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 112642589) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID112642589
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESCN(C)C(C)(C)C(O)Cc1cncs1
InChIInChI=1S/C10H18N2OS/c1-10(2,12(3)4)9(13)5-8-6-11-7-14-8/h6-7,9,13H,5H2,1-4H3
InChIKeyKLGDWDZVBRFRDB-UHFFFAOYSA-N
XLogP1.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol (CID 112642589) is 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol is CN(C)C(C)(C)C(O)Cc1cncs1.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is KLGDWDZVBRFRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-10(2,12(3)4)9(13)5-8-6-11-7-14-8/h6-7,9,13H,5H2,1-4H3.
What are the key properties of 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol?
3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 112642589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).