(2,5-dimethyl-1,3-thiazol-4-yl)methanamine

C6H10N2S — CID 69279054

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CN)c(C)s1
InChIInChI=1S/C6H10N2S/c1-4-6(3-7)8-5(2)9-4/h3,7H2,1-2H3
InChIKeyQVLQAPIXNSQONU-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.22
Rot. Bonds1

About (2,5-dimethyl-1,3-thiazol-4-yl)methanamine

(2,5-dimethyl-1,3-thiazol-4-yl)methanamine (PubChem CID 69279054) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)methanamine
PubChem CID69279054
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CN)c(C)s1
InChIInChI=1S/C6H10N2S/c1-4-6(3-7)8-5(2)9-4/h3,7H2,1-2H3
InChIKeyQVLQAPIXNSQONU-UHFFFAOYSA-N
XLogP1.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)methanamine (CID 69279054) is (2,5-dimethyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CN)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is QVLQAPIXNSQONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-4-6(3-7)8-5(2)9-4/h3,7H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)methanamine?
(2,5-dimethyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 142.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 69279054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).