4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine

C11H13N3S — CID 46398312

IUPAC4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C11H13N3S/c1-14(2)11-13-10(7-15-11)8-4-3-5-9(12)6-8/h3-7H,12H2,1-2H3
InChIKeyVKGZYDJATLBKEA-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.46
Rot. Bonds2

About 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine

4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 46398312) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID46398312
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C11H13N3S/c1-14(2)11-13-10(7-15-11)8-4-3-5-9(12)6-8/h3-7H,12H2,1-2H3
InChIKeyVKGZYDJATLBKEA-UHFFFAOYSA-N
XLogP2.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308455
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
3-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]aniline
CID 62474009
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948
3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline
CID 103374862
3-[2-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 94760682
3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine (CID 46398312) is 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(-c2cccc(N)c2)cs1.
What is the InChIKey of 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is VKGZYDJATLBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-14(2)11-13-10(7-15-11)8-4-3-5-9(12)6-8/h3-7H,12H2,1-2H3.
What are the key properties of 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine?
4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 46398312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).