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

C13H18N2OS2 — CID 111469045

IUPAC3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
SMILESCC(C)(CCO)NCc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H18N2OS2/c1-13(2,4-5-16)14-7-11-9-18-12(15-11)10-3-6-17-8-10/h3,6,8-9,14,16H,4-5,7H2,1-2H3
InChIKeyJXBRSDPAMONNAP-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.12
Rot. Bonds6

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

3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol (PubChem CID 111469045) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
PubChem CID111469045
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
SMILESCC(C)(CCO)NCc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H18N2OS2/c1-13(2,4-5-16)14-7-11-9-18-12(15-11)10-3-6-17-8-10/h3,6,8-9,14,16H,4-5,7H2,1-2H3
InChIKeyJXBRSDPAMONNAP-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-3-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 111469051
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
4-propyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 112796910
N-(1-hydroxy-2-methylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 64557574
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 110003115
1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111579179
N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 99832865
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 66104721
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol (CID 111469045) is 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol is CC(C)(CCO)NCc1csc(-c2ccsc2)n1.
What is the InChIKey of 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The InChIKey is JXBRSDPAMONNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-13(2,4-5-16)14-7-11-9-18-12(15-11)10-3-6-17-8-10/h3,6,8-9,14,16H,4-5,7H2,1-2H3.
What are the key properties of 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
3-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 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 111469045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).