N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine

C9H12N4S2 — CID 105171443

IUPACN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1cnsn1
InChIInChI=1S/C9H12N4S2/c1-6-5-14-9(12-6)3-7(10-2)8-4-11-15-13-8/h4-5,7,10H,3H2,1-2H3
InChIKeyMLUKFUCQAOSUDC-UHFFFAOYSA-N
MW240.36 g/mol
LogP1.81
Rot. Bonds4

About N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 105171443) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID105171443
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1cnsn1
InChIInChI=1S/C9H12N4S2/c1-6-5-14-9(12-6)3-7(10-2)8-4-11-15-13-8/h4-5,7,10H,3H2,1-2H3
InChIKeyMLUKFUCQAOSUDC-UHFFFAOYSA-N
XLogP1.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105158966
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357336
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432
1-(2-methoxypyrimidin-5-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112747522
1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79594998
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 65318322
1-(2-bromofuran-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106858291
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62796188

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine (CID 105171443) is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine is CNC(Cc1nc(C)cs1)c1cnsn1.
What is the InChIKey of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is MLUKFUCQAOSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-6-5-14-9(12-6)3-7(10-2)8-4-11-15-13-8/h4-5,7,10H,3H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine has a molecular weight of 240.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 105171443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).