N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H21FN2S — CID 61286985

IUPACN-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(-c2ccc(C)c(F)c2)nc1C
InChIInChI=1S/C16H21FN2S/c1-5-8-18-11(3)15-12(4)19-16(20-15)13-7-6-10(2)14(17)9-13/h6-7,9,11,18H,5,8H2,1-4H3
InChIKeyBKVIGVREFTZKIP-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.63
Rot. Bonds5

About N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 61286985) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID61286985
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(-c2ccc(C)c(F)c2)nc1C
InChIInChI=1S/C16H21FN2S/c1-5-8-18-11(3)15-12(4)19-16(20-15)13-7-6-10(2)14(17)9-13/h6-7,9,11,18H,5,8H2,1-4H3
InChIKeyBKVIGVREFTZKIP-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US11608337, Example 32
CID 132085789
5-({[(Cyclohexylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581915
5-({[(Isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581920
5-({[(Ethylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581921
2-[(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 53258073
2-[(E)-1-[2-(4-cyclohexylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221280
2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221281
2-[(E)-1-[2-(4-hex-1-ynylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 90108106
Antibacterial agent 106
CID 155553053
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7222720

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 61286985) is N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(-c2ccc(C)c(F)c2)nc1C.
What is the InChIKey of N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is BKVIGVREFTZKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-5-8-18-11(3)15-12(4)19-16(20-15)13-7-6-10(2)14(17)9-13/h6-7,9,11,18H,5,8H2,1-4H3.
What are the key properties of N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 61286985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).