[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C16H21FN2S2 — CID 114362037

IUPAC[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCSc1cccc(F)c1-c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C16H21FN2S2/c1-4-20-13-7-5-6-11(17)15(13)16-19-12(8-10(2)3)14(9-18)21-16/h5-7,10H,4,8-9,18H2,1-3H3
InChIKeyKGZUSDJPOLKARK-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.72
Rot. Bonds6

About [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362037) has the molecular formula C16H21FN2S2 and a molecular weight of 324.49 g/mol. Its IUPAC name is [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362037
Molecular FormulaC16H21FN2S2
Molecular Weight324.49 g/mol
Exact Mass324.11
IUPAC Name[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCSc1cccc(F)c1-c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C16H21FN2S2/c1-4-20-13-7-5-6-11(17)15(13)16-19-12(8-10(2)3)14(9-18)21-16/h5-7,10H,4,8-9,18H2,1-3H3
InChIKeyKGZUSDJPOLKARK-UHFFFAOYSA-N
XLogP4.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107920989
4-ethyl-2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 104838329
[2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840974
1-[2-(2-bromo-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887813
[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114362054
1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 113386054
4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
CID 136889282
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841750
[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362037) is [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CCSc1cccc(F)c1-c1nc(CC(C)C)c(CN)s1.
What is the InChIKey of [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KGZUSDJPOLKARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S2/c1-4-20-13-7-5-6-11(17)15(13)16-19-12(8-10(2)3)14(9-18)21-16/h5-7,10H,4,8-9,18H2,1-3H3.
What are the key properties of [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 324.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).