N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine

C17H25N3S — CID 105084863

IUPACN-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1snnc1C(C)(C)C
InChIInChI=1S/C17H25N3S/c1-5-11-18-14(12-13-9-7-6-8-10-13)15-16(17(2,3)4)19-20-21-15/h6-10,14,18H,5,11-12H2,1-4H3
InChIKeyQBVPCCAGPHJYED-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.12
Rot. Bonds6

About N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine

N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine (PubChem CID 105084863) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine
PubChem CID105084863
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1snnc1C(C)(C)C
InChIInChI=1S/C17H25N3S/c1-5-11-18-14(12-13-9-7-6-8-10-13)15-16(17(2,3)4)19-20-21-15/h6-10,14,18H,5,11-12H2,1-4H3
InChIKeyQBVPCCAGPHJYED-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105179988
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287990
N-[1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethyl]propan-1-amine
CID 105135764
1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
CID 105153160
[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105333802
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109845
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluorophenyl)methyl]propan-1-amine
CID 105088130
N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
CID 60817853
1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 105170540
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine (CID 105084863) is N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)c1snnc1C(C)(C)C.
What is the InChIKey of N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine?
The InChIKey is QBVPCCAGPHJYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-11-18-14(12-13-9-7-6-8-10-13)15-16(17(2,3)4)19-20-21-15/h6-10,14,18H,5,11-12H2,1-4H3.
What are the key properties of N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine?
N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 105084863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).