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

C9H16N2OS — CID 115866557

IUPAC3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
SMILESCC(O)C(C)(C)NCc1cncs1
InChIInChI=1S/C9H16N2OS/c1-7(12)9(2,3)11-5-8-4-10-6-13-8/h4,6-7,11-12H,5H2,1-3H3
InChIKeyMEHJLUBSBKZMCW-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.39
Rot. Bonds4

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

3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol (PubChem CID 115866557) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
PubChem CID115866557
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
SMILESCC(O)C(C)(C)NCc1cncs1
InChIInChI=1S/C9H16N2OS/c1-7(12)9(2,3)11-5-8-4-10-6-13-8/h4,6-7,11-12H,5H2,1-3H3
InChIKeyMEHJLUBSBKZMCW-UHFFFAOYSA-N
XLogP1.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol
CID 75513023
(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
3-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562
3-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103741092
1,1-Difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 103787929
1,1-Difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
CID 103793274
3-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 115684309
1,1,1-Trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 115712104
1,1,1-Trifluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
CID 115732152
4-[[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962909

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol?
The IUPAC name of 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol (CID 115866557) is 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol?
The canonical SMILES for 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol is CC(O)C(C)(C)NCc1cncs1.
What is the InChIKey of 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol?
The InChIKey is MEHJLUBSBKZMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(12)9(2,3)11-5-8-4-10-6-13-8/h4,6-7,11-12H,5H2,1-3H3.
What are the key properties of 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol?
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol is sourced from PubChem (CID 115866557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).