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

C14H17FN2S — CID 114364905

IUPAC1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cccc(F)c2)nc1C(C)C
InChIInChI=1S/C14H17FN2S/c1-9(2)13-12(8-16-3)18-14(17-13)10-5-4-6-11(15)7-10/h4-7,9,16H,8H2,1-3H3
InChIKeyBDLPMISONFIKND-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.79
Rot. Bonds4

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

1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114364905) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114364905
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cccc(F)c2)nc1C(C)C
InChIInChI=1S/C14H17FN2S/c1-9(2)13-12(8-16-3)18-14(17-13)10-5-4-6-11(15)7-10/h4-7,9,16H,8H2,1-3H3
InChIKeyBDLPMISONFIKND-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364913
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114364781
1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106951184
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide
CID 7518305
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365306
N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365703
2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114364905) is 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2cccc(F)c2)nc1C(C)C.
What is the InChIKey of 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BDLPMISONFIKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9(2)13-12(8-16-3)18-14(17-13)10-5-4-6-11(15)7-10/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114364905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).