(3-methyl-2H-1,3-thiazol-4-yl)methanamine

C5H10N2S — CID 54316327

IUPAC(3-methyl-2H-1,3-thiazol-4-yl)methanamine
SMILESCN1CSC=C1CN
InChIInChI=1S/C5H10N2S/c1-7-4-8-3-5(7)2-6/h3H,2,4,6H2,1H3
InChIKeySOKZPTVXAVDLMQ-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.42
Rot. Bonds1

About (3-methyl-2H-1,3-thiazol-4-yl)methanamine

(3-methyl-2H-1,3-thiazol-4-yl)methanamine (PubChem CID 54316327) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is (3-methyl-2H-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-2H-1,3-thiazol-4-yl)methanamine
PubChem CID54316327
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name(3-methyl-2H-1,3-thiazol-4-yl)methanamine
SMILESCN1CSC=C1CN
InChIInChI=1S/C5H10N2S/c1-7-4-8-3-5(7)2-6/h3H,2,4,6H2,1H3
InChIKeySOKZPTVXAVDLMQ-UHFFFAOYSA-N
XLogP0.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (3-methyl-2H-1,3-thiazol-4-yl)methanamine (CID 54316327) is (3-methyl-2H-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (3-methyl-2H-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (3-methyl-2H-1,3-thiazol-4-yl)methanamine is CN1CSC=C1CN.
What is the InChIKey of (3-methyl-2H-1,3-thiazol-4-yl)methanamine?
The InChIKey is SOKZPTVXAVDLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-7-4-8-3-5(7)2-6/h3H,2,4,6H2,1H3.
What are the key properties of (3-methyl-2H-1,3-thiazol-4-yl)methanamine?
(3-methyl-2H-1,3-thiazol-4-yl)methanamine has a molecular weight of 130.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 54316327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).