2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol

C11H20N2OS — CID 103993428

IUPAC2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol
SMILESCc1ncc(CNC(C)(C)C(C)(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-8-12-6-9(15-8)7-13-10(2,3)11(4,5)14/h6,13-14H,7H2,1-5H3
InChIKeyYUEFDZHVAROFQI-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.09
Rot. Bonds4

About 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol

2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol (PubChem CID 103993428) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol
PubChem CID103993428
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol
SMILESCc1ncc(CNC(C)(C)C(C)(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-8-12-6-9(15-8)7-13-10(2,3)11(4,5)14/h6,13-14H,7H2,1-5H3
InChIKeyYUEFDZHVAROFQI-UHFFFAOYSA-N
XLogP2.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 99841946
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
1,1-Difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 103731527
2-[(2-Methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60941778
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 60983637
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 63120672
2-{5-[(Dimethylamino)methyl]-1,3-thiazol-2-yl}propan-2-ol
CID 70937530
[2-(2-Hydroxypropan-2-yl)-1,3-thiazol-5-yl]methyl-trimethylazanium
CID 89116838
1-(1,3-Thiazol-5-ylmethylamino)butan-2-ol
CID 116237966
2-methyl-N-[[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 142021901
1-[(2-Ethoxy-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 16494841
1-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 60777368

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol (CID 103993428) is 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol is Cc1ncc(CNC(C)(C)C(C)(C)O)s1.
What is the InChIKey of 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol?
The InChIKey is YUEFDZHVAROFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8-12-6-9(15-8)7-13-10(2,3)11(4,5)14/h6,13-14H,7H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol?
2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol is sourced from PubChem (CID 103993428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).