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

C12H16N2S2 — CID 116967539

IUPACN-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(CNC)c1nc(-c2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-3-9(7-13-2)12-14-10(8-16-12)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeySRDBGRMTINTEEC-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.58
Rot. Bonds5

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

N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 116967539) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID116967539
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(CNC)c1nc(-c2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-3-9(7-13-2)12-14-10(8-16-12)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeySRDBGRMTINTEEC-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine (CID 116967539) is N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine is CCC(CNC)c1nc(-c2cccs2)cs1.
What is the InChIKey of N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is SRDBGRMTINTEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-3-9(7-13-2)12-14-10(8-16-12)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3.
What are the key properties of N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine?
N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 116967539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).