N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine

C8H12N2S — CID 143219877

IUPACN-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine
SMILESC=C(CC)Nc1nc(C)cs1
InChIInChI=1S/C8H12N2S/c1-4-6(2)9-8-10-7(3)5-11-8/h5H,2,4H2,1,3H3,(H,9,10)
InChIKeyXMIBFZJUYAFWGZ-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.79
Rot. Bonds3

About N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine

N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine (PubChem CID 143219877) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine
PubChem CID143219877
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine
SMILESC=C(CC)Nc1nc(C)cs1
InChIInChI=1S/C8H12N2S/c1-4-6(2)9-8-10-7(3)5-11-8/h5H,2,4H2,1,3H3,(H,9,10)
InChIKeyXMIBFZJUYAFWGZ-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-but-1-en-2-yl-4-methyl-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine (CID 143219877) is N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine is C=C(CC)Nc1nc(C)cs1.
What is the InChIKey of N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XMIBFZJUYAFWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-6(2)9-8-10-7(3)5-11-8/h5H,2,4H2,1,3H3,(H,9,10).
What are the key properties of N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine?
N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 168.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 143219877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).