N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine

C16H22FN3S — CID 105170013

IUPACN-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1snnc1CCC
InChIInChI=1S/C16H22FN3S/c1-4-6-14-16(21-20-19-14)15(18-7-5-2)12-8-11(3)9-13(17)10-12/h8-10,15,18H,4-7H2,1-3H3
InChIKeyDWRLFRJTKAEMDW-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.03
Rot. Bonds7

About N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine

N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105170013) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105170013
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC NameN-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1snnc1CCC
InChIInChI=1S/C16H22FN3S/c1-4-6-14-16(21-20-19-14)15(18-7-5-2)12-8-11(3)9-13(17)10-12/h8-10,15,18H,4-7H2,1-3H3
InChIKeyDWRLFRJTKAEMDW-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
[(3,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]hydrazine
CID 105301889
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79704331
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
[(3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105284851
N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105173463
N-[(2,6-dimethyl-4-pyridinyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107503885
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 105142006

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine (CID 105170013) is N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(F)c1)c1snnc1CCC.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is DWRLFRJTKAEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-4-6-14-16(21-20-19-14)15(18-7-5-2)12-8-11(3)9-13(17)10-12/h8-10,15,18H,4-7H2,1-3H3.
What are the key properties of N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105170013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).