N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine

C8H10N4S2 — CID 131187124

IUPACN-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine
SMILESCNCc1csc(-c2snnc2C)n1
InChIInChI=1S/C8H10N4S2/c1-5-7(14-12-11-5)8-10-6(3-9-2)4-13-8/h4,9H,3H2,1-2H3
InChIKeyWCTAGROWBHMEIZ-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.69
Rot. Bonds3

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

N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 131187124) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID131187124
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC NameN-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine
SMILESCNCc1csc(-c2snnc2C)n1
InChIInChI=1S/C8H10N4S2/c1-5-7(14-12-11-5)8-10-6(3-9-2)4-13-8/h4,9H,3H2,1-2H3
InChIKeyWCTAGROWBHMEIZ-UHFFFAOYSA-N
XLogP1.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
1-[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868245
1-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 106818197
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976
5-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole
CID 2809436
N-methyl-1-[2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanamine
CID 116868246
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
1-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281844
N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
CID 137013305
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281842
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 107125243

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine (CID 131187124) is N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine is CNCc1csc(-c2snnc2C)n1.
What is the InChIKey of N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is WCTAGROWBHMEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-5-7(14-12-11-5)8-10-6(3-9-2)4-13-8/h4,9H,3H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine?
N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 226.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylthiadiazol-5-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 131187124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).