4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C14H18FN3S — CID 55117566

IUPAC4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2ccccc2F)sc1CNC
InChIInChI=1S/C14H18FN3S/c1-4-11-13(9-16-2)19-14(17-11)18(3)12-8-6-5-7-10(12)15/h5-8,16H,4,9H2,1-3H3
InChIKeyOCCMTCBOXRURKC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.33
Rot. Bonds5

About 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 55117566) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID55117566
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2ccccc2F)sc1CNC
InChIInChI=1S/C14H18FN3S/c1-4-11-13(9-16-2)19-14(17-11)18(3)12-8-6-5-7-10(12)15/h5-8,16H,4,9H2,1-3H3
InChIKeyOCCMTCBOXRURKC-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768385
5-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 55117520
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 65486953
4-ethyl-N-(3-methoxyphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62767007
4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 63917766
5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62769283
N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62779800
5-(aminomethyl)-4-cyclopropyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 63917574
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
N,4-diethyl-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62767433
N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 82943284
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 55117566) is 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)c2ccccc2F)sc1CNC.
What is the InChIKey of 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is OCCMTCBOXRURKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-4-11-13(9-16-2)19-14(17-11)18(3)12-8-6-5-7-10(12)15/h5-8,16H,4,9H2,1-3H3.
What are the key properties of 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).