N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C13H18N2S2 — CID 70741180

IUPACN-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CN(C)CCc1scnc1C
InChIInChI=1S/C13H18N2S2/c1-10-5-7-16-13(10)8-15(3)6-4-12-11(2)14-9-17-12/h5,7,9H,4,6,8H2,1-3H3
InChIKeyMBQGIFHHZCJWHG-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.50
Rot. Bonds5

About N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 70741180) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID70741180
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC NameN-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CN(C)CCc1scnc1C
InChIInChI=1S/C13H18N2S2/c1-10-5-7-16-13(10)8-15(3)6-4-12-11(2)14-9-17-12/h5,7,9H,4,6,8H2,1-3H3
InChIKeyMBQGIFHHZCJWHG-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine 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

Thiazolium, 4,5-dimethyl-3-(phenylmethyl)-, chloride
CID 11770549
3-Benzyl-4,5-dimethyl-1,3-thiazol-3-ium
CID 4160623
5,6-Dimethylpyrrolo[2,1-b][1,3]thiazole
CID 23261623
5-Ethyl-4-methyl-2-(2-thienyl)-1,3-thiazole
CID 45094920
4-Methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 56794019
N-methyl-1-pyridin-4-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 91660467
1-(5-ethyl-2-thienyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 124216299
N-(thiophen-2-ylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 173218888
2,6-Dimethylpyrrolo[2,1-b][1,3]thiazole-5-carbothialdehyde
CID 85820724
6-Methylpyrrolo[2,1-b][1,3]thiazole-5-carbothialdehyde
CID 85961556
4,5-dimethyl-3-[(1S)-1-phenylethyl]-1,3-thiazol-3-ium
CID 134860683
Dimethyl-[(2,3,6-trimethylpyrrolo[2,1-b][1,3]thiazol-5-yl)methylidene]azanium
CID 134877300

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 70741180) is N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CN(C)CCc1scnc1C.
What is the InChIKey of N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is MBQGIFHHZCJWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-10-5-7-16-13(10)8-15(3)6-4-12-11(2)14-9-17-12/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 266.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 70741180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).