(3-methyl-1,2-thiazol-5-yl)methanamine

C5H8N2S — CID 55289034

IUPAC(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(CN)sn1
InChIInChI=1S/C5H8N2S/c1-4-2-5(3-6)8-7-4/h2H,3,6H2,1H3
InChIKeyDURCPGVQMXNQJC-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.91
Rot. Bonds1

About (3-methyl-1,2-thiazol-5-yl)methanamine

(3-methyl-1,2-thiazol-5-yl)methanamine (PubChem CID 55289034) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)methanamine
PubChem CID55289034
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(CN)sn1
InChIInChI=1S/C5H8N2S/c1-4-2-5(3-6)8-7-4/h2H,3,6H2,1H3
InChIKeyDURCPGVQMXNQJC-UHFFFAOYSA-N
XLogP0.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)methanamine?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)methanamine (CID 55289034) is (3-methyl-1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)methanamine?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)methanamine is Cc1cc(CN)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)methanamine?
The InChIKey is DURCPGVQMXNQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-2-5(3-6)8-7-4/h2H,3,6H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)methanamine?
(3-methyl-1,2-thiazol-5-yl)methanamine has a molecular weight of 128.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 55289034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).