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

C16H21FN2S — CID 62404625

IUPACN-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(Cc2ccccc2F)sc1CNCC(C)C
InChIInChI=1S/C16H21FN2S/c1-11(2)9-18-10-15-12(3)19-16(20-15)8-13-6-4-5-7-14(13)17/h4-7,11,18H,8-10H2,1-3H3
InChIKeyUFTUBAULAQPATC-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.93
Rot. Bonds6

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

N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62404625) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62404625
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(Cc2ccccc2F)sc1CNCC(C)C
InChIInChI=1S/C16H21FN2S/c1-11(2)9-18-10-15-12(3)19-16(20-15)8-13-6-4-5-7-14(13)17/h4-7,11,18H,8-10H2,1-3H3
InChIKeyUFTUBAULAQPATC-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404611
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62830555
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82425710
N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65144559
N-[[2-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368742
N-[[2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65405236
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
N-[[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62403730
2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427637
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804
N-[[4-methyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55070876

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62404625) is N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(Cc2ccccc2F)sc1CNCC(C)C.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UFTUBAULAQPATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-11(2)9-18-10-15-12(3)19-16(20-15)8-13-6-4-5-7-14(13)17/h4-7,11,18H,8-10H2,1-3H3.
What are the key properties of N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62404625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).