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

C14H16ClFN2S — CID 82807472

IUPACN-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(-c2cccc(Cl)c2F)ns1
InChIInChI=1S/C14H16ClFN2S/c1-14(2,3)17-8-9-7-12(18-19-9)10-5-4-6-11(15)13(10)16/h4-7,17H,8H2,1-3H3
InChIKeyIVXSMTRCTCYPJJ-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.49
Rot. Bonds3

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

N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82807472) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID82807472
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC NameN-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(-c2cccc(Cl)c2F)ns1
InChIInChI=1S/C14H16ClFN2S/c1-14(2,3)17-8-9-7-12(18-19-9)10-5-4-6-11(15)13(10)16/h4-7,17H,8H2,1-3H3
InChIKeyIVXSMTRCTCYPJJ-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82805503
N-[3-[5-(3-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 81252219
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
CID 116690237
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 82806549
N-[[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137776
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116689541
N-[[5-(3-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 81263084
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 102859004
N-[[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114319778

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 82807472) is N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(-c2cccc(Cl)c2F)ns1.
What is the InChIKey of N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IVXSMTRCTCYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-14(2,3)17-8-9-7-12(18-19-9)10-5-4-6-11(15)13(10)16/h4-7,17H,8H2,1-3H3.
What are the key properties of N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.81 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-2-fluorophenyl)-1,2-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82807472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).