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

C12H15N3S — CID 79771560

IUPAC5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(N(C)Cc2cnc(N)s2)c1
InChIInChI=1S/C12H15N3S/c1-9-4-3-5-10(6-9)15(2)8-11-7-14-12(13)16-11/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyAIRZDRZZCHDTSF-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.67
Rot. Bonds3

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

5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 79771560) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID79771560
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(N(C)Cc2cnc(N)s2)c1
InChIInChI=1S/C12H15N3S/c1-9-4-3-5-10(6-9)15(2)8-11-7-14-12(13)16-11/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyAIRZDRZZCHDTSF-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine (CID 79771560) is 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine is Cc1cccc(N(C)Cc2cnc(N)s2)c1.
What is the InChIKey of 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is AIRZDRZZCHDTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-4-3-5-10(6-9)15(2)8-11-7-14-12(13)16-11/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine?
5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N,3-dimethylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).