1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine

C12H20N2S — CID 116966941

IUPAC1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C12H20N2S/c1-11(2,3)9-7-15-10(14-9)12(5-6-12)8-13-4/h7,13H,5-6,8H2,1-4H3
InChIKeyXHSSPGBUJBFLGG-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine

1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 116966941) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine
PubChem CID116966941
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C12H20N2S/c1-11(2,3)9-7-15-10(14-9)12(5-6-12)8-13-4/h7,13H,5-6,8H2,1-4H3
InChIKeyXHSSPGBUJBFLGG-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine 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

4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine
CID 61332937
4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole
CID 116734574
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753474
N-methyl-1-[1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopropyl]methanamine
CID 116890905
4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine
CID 65077988
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63405820
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103563897
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429503
4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine
CID 61335761
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine
CID 103563880
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63405772
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103563911

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine (CID 116966941) is 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine is CNCC1(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is XHSSPGBUJBFLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-11(2,3)9-7-15-10(14-9)12(5-6-12)8-13-4/h7,13H,5-6,8H2,1-4H3.
What are the key properties of 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine?
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116966941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).