1,3-thiazol-2-ylmethanamine

C4H6N2S — CID 2756507

IUPAC1,3-thiazol-2-ylmethanamine
SMILESNCc1nccs1
InChIInChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2
InChIKeyJOZSYOPADROCMP-UHFFFAOYSA-N
MW114.17 g/mol
LogP0.60
Rot. Bonds1

About 1,3-thiazol-2-ylmethanamine

1,3-thiazol-2-ylmethanamine (PubChem CID 2756507) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethanamine.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethanamine
PubChem CID2756507
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name1,3-thiazol-2-ylmethanamine
SMILESNCc1nccs1
InChIInChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2
InChIKeyJOZSYOPADROCMP-UHFFFAOYSA-N
XLogP0.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole
CID 9256
2-Ethylthiazole
CID 85053
2-Methylthiazole
CID 77129
2-Thiazolylethylamine
CID 87653
2-(Methylthio)thiazole
CID 2760100
Methyl((1,3-thiazol-2-yl)methyl)amine
CID 18939834
5-Amino-1,3-thiazole-2-carbothioamide
CID 3440815
2-Ethynyl-1,3-thiazole
CID 11651155
1,3-Thiazole-2-carbonitrile
CID 15111480
2-Ethenyl-1,3-thiazole
CID 13678549
1,3-Thiazole-2-carbothioamide
CID 15166172
1,3-Thiazole-2-carboxamide
CID 17750911

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethanamine?
The IUPAC name of 1,3-thiazol-2-ylmethanamine (CID 2756507) is 1,3-thiazol-2-ylmethanamine.
What is the SMILES notation for 1,3-thiazol-2-ylmethanamine?
The canonical SMILES for 1,3-thiazol-2-ylmethanamine is NCc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylmethanamine?
The InChIKey is JOZSYOPADROCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2.
What are the key properties of 1,3-thiazol-2-ylmethanamine?
1,3-thiazol-2-ylmethanamine has a molecular weight of 114.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethanamine is sourced from PubChem (CID 2756507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).