1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine

C18H17FN2O3S2 — CID 68727997

IUPAC1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccc(OC)c2)s1
InChIInChI=1S/C18H17FN2O3S2/c1-20-11-16-21-17(14-8-3-4-9-15(14)19)18(25-16)26(22,23)13-7-5-6-12(10-13)24-2/h3-10,20H,11H2,1-2H3
InChIKeyGZXBYPPWKFNWSI-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.51
Rot. Bonds6

About 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine

1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 68727997) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID68727997
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC Name1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccc(OC)c2)s1
InChIInChI=1S/C18H17FN2O3S2/c1-20-11-16-21-17(14-8-3-4-9-15(14)19)18(25-16)26(22,23)13-7-5-6-12(10-13)24-2/h3-10,20H,11H2,1-2H3
InChIKeyGZXBYPPWKFNWSI-UHFFFAOYSA-N
XLogP3.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine (CID 68727997) is 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccc(OC)c2)s1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is GZXBYPPWKFNWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-20-11-16-21-17(14-8-3-4-9-15(14)19)18(25-16)26(22,23)13-7-5-6-12(10-13)24-2/h3-10,20H,11H2,1-2H3.
What are the key properties of 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 392.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonyl-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 68727997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).