[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone

C13H14N2OS — CID 116585062

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2csc(CN)n2)c1
InChIInChI=1S/C13H14N2OS/c1-8-3-9(2)5-10(4-8)13(16)11-7-17-12(6-14)15-11/h3-5,7H,6,14H2,1-2H3
InChIKeyTYCXRTXFAOVMRC-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.45
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone (PubChem CID 116585062) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
PubChem CID116585062
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2csc(CN)n2)c1
InChIInChI=1S/C13H14N2OS/c1-8-3-9(2)5-10(4-8)13(16)11-7-17-12(6-14)15-11/h3-5,7H,6,14H2,1-2H3
InChIKeyTYCXRTXFAOVMRC-UHFFFAOYSA-N
XLogP2.45
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 116585426
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514931
[2-(aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone
CID 131110938
2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide
CID 119685648
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116585193
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,5-dimethylphenyl)ethanone
CID 116585354
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 119710646
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 119708708

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone (CID 116585062) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2csc(CN)n2)c1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone?
The InChIKey is TYCXRTXFAOVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-3-9(2)5-10(4-8)13(16)11-7-17-12(6-14)15-11/h3-5,7H,6,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone has a molecular weight of 246.33 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 [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 116585062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).