2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine

C12H16N2S2 — CID 116888514

IUPAC2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
SMILESCC(C)(N)CCc1csc(-c2cccs2)n1
InChIInChI=1S/C12H16N2S2/c1-12(2,13)6-5-9-8-16-11(14-9)10-4-3-7-15-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeySWXWJXHWCCANFR-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine

2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine (PubChem CID 116888514) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
PubChem CID116888514
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
SMILESCC(C)(N)CCc1csc(-c2cccs2)n1
InChIInChI=1S/C12H16N2S2/c1-12(2,13)6-5-9-8-16-11(14-9)10-4-3-7-15-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeySWXWJXHWCCANFR-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine 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

2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanenitrile
CID 116890038
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
3,5-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694033
3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694174
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 115614557
(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579077
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
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 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine (CID 116888514) is 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine is CC(C)(N)CCc1csc(-c2cccs2)n1.
What is the InChIKey of 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine?
The InChIKey is SWXWJXHWCCANFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-12(2,13)6-5-9-8-16-11(14-9)10-4-3-7-15-10/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine?
2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine is sourced from PubChem (CID 116888514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).