N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C15H19FN2S — CID 114834516

IUPACN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CNCC(C)C)sc1-c1cccc(F)c1
InChIInChI=1S/C15H19FN2S/c1-10(2)8-17-9-14-18-11(3)15(19-14)12-5-4-6-13(16)7-12/h4-7,10,17H,8-9H2,1-3H3
InChIKeyLJWGIQDTBWJGHV-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.00
Rot. Bonds5

About N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114834516) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID114834516
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CNCC(C)C)sc1-c1cccc(F)c1
InChIInChI=1S/C15H19FN2S/c1-10(2)8-17-9-14-18-11(3)15(19-14)12-5-4-6-13(16)7-12/h4-7,10,17H,8-9H2,1-3H3
InChIKeyLJWGIQDTBWJGHV-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 114834505
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114834511
2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 90707689
N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114873246
N-[[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 114834508
2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 58245762
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404625
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404611
2-methyl-N-[(5-methyl-1,3-benzothiazol-2-yl)methyl]propan-1-amine
CID 63066291
N-ethyl-2-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62756007

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 114834516) is N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is Cc1nc(CNCC(C)C)sc1-c1cccc(F)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LJWGIQDTBWJGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-10(2)8-17-9-14-18-11(3)15(19-14)12-5-4-6-13(16)7-12/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114834516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).