N-methyl-1-(1,3-thiazol-5-yl)methanamine

C5H8N2S — CID 45121664

IUPACN-methyl-1-(1,3-thiazol-5-yl)methanamine
SMILESCNCc1cncs1
InChIInChI=1S/C5H8N2S/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3
InChIKeyBVDWIWZWZZLCGR-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.86
Rot. Bonds2

About N-methyl-1-(1,3-thiazol-5-yl)methanamine

N-methyl-1-(1,3-thiazol-5-yl)methanamine (PubChem CID 45121664) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-5-yl)methanamine
PubChem CID45121664
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC NameN-methyl-1-(1,3-thiazol-5-yl)methanamine
SMILESCNCc1cncs1
InChIInChI=1S/C5H8N2S/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3
InChIKeyBVDWIWZWZZLCGR-UHFFFAOYSA-N
XLogP0.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylthiazole
CID 137980
N-((2-Chloro-5-thiazolyl)methyl)-N'-methylurea
CID 71372718
N-[(2-Chloro-5-thiazolyl)methyl]-N'-methylguanidine
CID 71372509
2-Chloro-5-aminomethylthiazole
CID 10154129
[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
5-(Aminomethyl)-1,3-thiazole
CID 5304077
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
1-(2-Methoxy-1,3-thiazol-5-yl)methanamine
CID 16494790
(1,3-Thiazol-5-yl)methanamine hydrochloride
CID 17750968
(2-Chloro-1,3-thiazol-5-yl)methanamine hydrochloride
CID 18349540

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(1,3-thiazol-5-yl)methanamine (CID 45121664) is N-methyl-1-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-5-yl)methanamine is CNCc1cncs1.
What is the InChIKey of N-methyl-1-(1,3-thiazol-5-yl)methanamine?
The InChIKey is BVDWIWZWZZLCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3.
What are the key properties of N-methyl-1-(1,3-thiazol-5-yl)methanamine?
N-methyl-1-(1,3-thiazol-5-yl)methanamine has a molecular weight of 128.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 45121664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).