3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline

C12H15N3S — CID 61308455

IUPAC3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
SMILESCN(C)Cc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C12H15N3S/c1-15(2)7-12-14-11(8-16-12)9-4-3-5-10(13)6-9/h3-6,8H,7,13H2,1-2H3
InChIKeyPRZQWDPJJIRGMM-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.45
Rot. Bonds3

About 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline

3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline (PubChem CID 61308455) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
PubChem CID61308455
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
SMILESCN(C)Cc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C12H15N3S/c1-15(2)7-12-14-11(8-16-12)9-4-3-5-10(13)6-9/h3-6,8H,7,13H2,1-2H3
InChIKeyPRZQWDPJJIRGMM-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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

4-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308270
4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 46398312
3-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]aniline
CID 62474009
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
3-[2-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 94760682
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668
3-[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]aniline
CID 94760676
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline
CID 82154267
3-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66073148
3-[2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66153901
4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 82154926

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline (CID 61308455) is 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline is CN(C)Cc1nc(-c2cccc(N)c2)cs1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline?
The InChIKey is PRZQWDPJJIRGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-15(2)7-12-14-11(8-16-12)9-4-3-5-10(13)6-9/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline?
3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline has a molecular weight of 233.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 61308455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).