5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine

C13H17N3S — CID 79771663

IUPAC5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(N(C)Cc2cnc(N)s2)c(C)c1
InChIInChI=1S/C13H17N3S/c1-9-4-5-12(10(2)6-9)16(3)8-11-7-15-13(14)17-11/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyKJODCAPOCPSQLM-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.98
Rot. Bonds3

About 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine

5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 79771663) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID79771663
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(N(C)Cc2cnc(N)s2)c(C)c1
InChIInChI=1S/C13H17N3S/c1-9-4-5-12(10(2)6-9)16(3)8-11-7-15-13(14)17-11/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyKJODCAPOCPSQLM-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine (CID 79771663) is 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine is Cc1ccc(N(C)Cc2cnc(N)s2)c(C)c1.
What is the InChIKey of 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is KJODCAPOCPSQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-4-5-12(10(2)6-9)16(3)8-11-7-15-13(14)17-11/h4-7H,8H2,1-3H3,(H2,14,15).
What are the key properties of 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine?
5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).