3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol

C13H18N2OS2 — CID 111421916

IUPAC3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
SMILESCC(C)C(O)CNCc1csc(-c2cccs2)n1
InChIInChI=1S/C13H18N2OS2/c1-9(2)11(16)7-14-6-10-8-18-13(15-10)12-4-3-5-17-12/h3-5,8-9,11,14,16H,6-7H2,1-2H3
InChIKeyWOEJZFYHENYGJB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.98
Rot. Bonds6

About 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol

3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol (PubChem CID 111421916) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
PubChem CID111421916
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
SMILESCC(C)C(O)CNCc1csc(-c2cccs2)n1
InChIInChI=1S/C13H18N2OS2/c1-9(2)11(16)7-14-6-10-8-18-13(15-10)12-4-3-5-17-12/h3-5,8-9,11,14,16H,6-7H2,1-2H3
InChIKeyWOEJZFYHENYGJB-UHFFFAOYSA-N
XLogP2.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol with MolForge

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Related Compounds

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 120913165
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
2-(pyridin-2-ylmethyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111824222
2-methylsulfanyl-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111440333
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 115614557
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 119114246
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
2-chloro-4-fluoro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 39975393
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 121495515

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol (CID 111421916) is 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol is CC(C)C(O)CNCc1csc(-c2cccs2)n1.
What is the InChIKey of 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
The InChIKey is WOEJZFYHENYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-9(2)11(16)7-14-6-10-8-18-13(15-10)12-4-3-5-17-12/h3-5,8-9,11,14,16H,6-7H2,1-2H3.
What are the key properties of 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol?
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol has a molecular weight of 282.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 111421916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).