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

C12H13FN2S2 — CID 66051369

IUPAC1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(CSc2ccccc2F)n1
InChIInChI=1S/C12H13FN2S2/c1-14-6-9-7-17-12(15-9)8-16-11-5-3-2-4-10(11)13/h2-5,7,14H,6,8H2,1H3
InChIKeySFMMFTHRMRKSRY-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.29
Rot. Bonds5

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

1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 66051369) has the molecular formula C12H13FN2S2 and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID66051369
Molecular FormulaC12H13FN2S2
Molecular Weight268.38 g/mol
Exact Mass268.05
IUPAC Name1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(CSc2ccccc2F)n1
InChIInChI=1S/C12H13FN2S2/c1-14-6-9-7-17-12(15-9)8-16-11-5-3-2-4-10(11)13/h2-5,7,14H,6,8H2,1H3
InChIKeySFMMFTHRMRKSRY-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-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

Related Compounds

1-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66142930
2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
CID 66052850
1-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66160617
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 84764244
3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 66083854
3-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66053301
2-[(2-bromophenyl)sulfanylmethyl]-4-(chloromethyl)-1,3-thiazole
CID 66142867
2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66145276
1-[2-[(2-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]-N-methylmethanamine
CID 66085801
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66053665
2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275569
[2-[(2-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361388

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine (CID 66051369) is 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(CSc2ccccc2F)n1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is SFMMFTHRMRKSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S2/c1-14-6-9-7-17-12(15-9)8-16-11-5-3-2-4-10(11)13/h2-5,7,14H,6,8H2,1H3.
What are the key properties of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66051369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).