N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine

C9H11N3S — CID 137013305

IUPACN-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESCNCc1csc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H11N3S/c1-10-5-7-6-13-9(12-7)8-3-2-4-11-8/h2-4,6,10-11H,5H2,1H3
InChIKeyJARMGJRCNGPARO-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.86
Rot. Bonds3

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

N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 137013305) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID137013305
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC NameN-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESCNCc1csc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H11N3S/c1-10-5-7-6-13-9(12-7)8-3-2-4-11-8/h2-4,6,10-11H,5H2,1H3
InChIKeyJARMGJRCNGPARO-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 137001721
N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine
CID 136988965
3-methyl-3-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 136988794
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone
CID 136984683
methyl 2-(1H-pyrrol-2-yl)-1,3-thiazole-4-carboxylate
CID 136984627
1-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 106818197
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281842
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
1-[2-(2-methoxynaphthalen-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281066
methyl 2-methyl-2-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 136988902
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine (CID 137013305) is N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine is CNCc1csc(-c2ccc[nH]2)n1.
What is the InChIKey of N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is JARMGJRCNGPARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-10-5-7-6-13-9(12-7)8-3-2-4-11-8/h2-4,6,10-11H,5H2,1H3.
What are the key properties of N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine?
N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 193.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 137013305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).