[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone

C12H11FN2OS — CID 116585268

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2csc(CN)n2)ccc1F
InChIInChI=1S/C12H11FN2OS/c1-7-4-8(2-3-9(7)13)12(16)10-6-17-11(5-14)15-10/h2-4,6H,5,14H2,1H3
InChIKeyXNENFFKLXOQHAN-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.28
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone (PubChem CID 116585268) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
PubChem CID116585268
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2csc(CN)n2)ccc1F
InChIInChI=1S/C12H11FN2OS/c1-7-4-8(2-3-9(7)13)12(16)10-6-17-11(5-14)15-10/h2-4,6H,5,14H2,1H3
InChIKeyXNENFFKLXOQHAN-UHFFFAOYSA-N
XLogP2.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
CID 116585062
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514931
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116585193
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 116585426
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66376283
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116585554
(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methanone
CID 79735419
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119760388
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone (CID 116585268) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2csc(CN)n2)ccc1F.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is XNENFFKLXOQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-7-4-8(2-3-9(7)13)12(16)10-6-17-11(5-14)15-10/h2-4,6H,5,14H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 2.28, 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]-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 116585268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).