1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

C14H14FN3S — CID 43433392

IUPAC1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCc1nc2sccn2c1CNCc1cccc(F)c1
InChIInChI=1S/C14H14FN3S/c1-10-13(18-5-6-19-14(18)17-10)9-16-8-11-3-2-4-12(15)7-11/h2-7,16H,8-9H2,1H3
InChIKeyOTPKCPFBFXPWJX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.13
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (PubChem CID 43433392) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
PubChem CID43433392
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCc1nc2sccn2c1CNCc1cccc(F)c1
InChIInChI=1S/C14H14FN3S/c1-10-13(18-5-6-19-14(18)17-10)9-16-8-11-3-2-4-12(15)7-11/h2-7,16H,8-9H2,1H3
InChIKeyOTPKCPFBFXPWJX-UHFFFAOYSA-N
XLogP3.13
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (CID 43433392) is 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is Cc1nc2sccn2c1CNCc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The InChIKey is OTPKCPFBFXPWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-10-13(18-5-6-19-14(18)17-10)9-16-8-11-3-2-4-12(15)7-11/h2-7,16H,8-9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 43433392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).