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

C13H18N2OS2 — CID 111448602

IUPAC2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
SMILESCC(CO)C(C)NCc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H18N2OS2/c1-9(6-16)10(2)14-5-12-8-18-13(15-12)11-3-4-17-7-11/h3-4,7-10,14,16H,5-6H2,1-2H3
InChIKeyOAHIHCDGCNWZSL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.98
Rot. Bonds6

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

2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol (PubChem CID 111448602) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
PubChem CID111448602
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
SMILESCC(CO)C(C)NCc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H18N2OS2/c1-9(6-16)10(2)14-5-12-8-18-13(15-12)11-3-4-17-7-11/h3-4,7-10,14,16H,5-6H2,1-2H3
InChIKeyOAHIHCDGCNWZSL-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 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-2-methylbutan-1-ol
CID 111448609
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111469045
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 66104721
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
CID 111469884
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
(1S)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 95762918
1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111579179
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
CID 113244476
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol
CID 103685135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol (CID 111448602) is 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol is CC(CO)C(C)NCc1csc(-c2ccsc2)n1.
What is the InChIKey of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The InChIKey is OAHIHCDGCNWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-9(6-16)10(2)14-5-12-8-18-13(15-12)11-3-4-17-7-11/h3-4,7-10,14,16H,5-6H2,1-2H3.
What are the key properties of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-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 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 111448602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).