N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C17H23FN2OS — CID 47035020

IUPACN-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCCCc1nc(CN(C)Cc2ccc(OC)c(F)c2)cs1
InChIInChI=1S/C17H23FN2OS/c1-4-5-6-17-19-14(12-22-17)11-20(2)10-13-7-8-16(21-3)15(18)9-13/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyBSMKWOMHIZNFJN-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.27
Rot. Bonds8

About N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 47035020) has the molecular formula C17H23FN2OS and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID47035020
Molecular FormulaC17H23FN2OS
Molecular Weight322.45 g/mol
Exact Mass322.15
IUPAC NameN-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCCCc1nc(CN(C)Cc2ccc(OC)c(F)c2)cs1
InChIInChI=1S/C17H23FN2OS/c1-4-5-6-17-19-14(12-22-17)11-20(2)10-13-7-8-16(21-3)15(18)9-13/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyBSMKWOMHIZNFJN-UHFFFAOYSA-N
XLogP4.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 47035020) is N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CCCCc1nc(CN(C)Cc2ccc(OC)c(F)c2)cs1.
What is the InChIKey of N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is BSMKWOMHIZNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS/c1-4-5-6-17-19-14(12-22-17)11-20(2)10-13-7-8-16(21-3)15(18)9-13/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 322.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 47035020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).