5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

C14H18FN3OS — CID 79055525

IUPAC5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNc1cc(C)cc(F)c1
InChIInChI=1S/C14H18FN3OS/c1-9-5-10(15)7-11(6-9)16-8-12-13(19-4)17-14(20-12)18(2)3/h5-7,16H,8H2,1-4H3
InChIKeyKMAOPTYYDKHHFD-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.28
Rot. Bonds5

About 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 79055525) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID79055525
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNc1cc(C)cc(F)c1
InChIInChI=1S/C14H18FN3OS/c1-9-5-10(15)7-11(6-9)16-8-12-13(19-4)17-14(20-12)18(2)3/h5-7,16H,8H2,1-4H3
InChIKeyKMAOPTYYDKHHFD-UHFFFAOYSA-N
XLogP3.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 79055525) is 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNc1cc(C)cc(F)c1.
What is the InChIKey of 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is KMAOPTYYDKHHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-9-5-10(15)7-11(6-9)16-8-12-13(19-4)17-14(20-12)18(2)3/h5-7,16H,8H2,1-4H3.
What are the key properties of 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 295.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-methylanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79055525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).