N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine

C13H18ClN3S2 — CID 105173463

IUPACN-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)c1snnc1CCC
InChIInChI=1S/C13H18ClN3S2/c1-3-5-9-13(19-17-16-9)12(15-8-4-2)10-6-7-11(14)18-10/h6-7,12,15H,3-5,8H2,1-2H3
InChIKeySOBDFUDGVLJXOH-UHFFFAOYSA-N
MW315.90 g/mol
LogP4.29
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine

N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105173463) has the molecular formula C13H18ClN3S2 and a molecular weight of 315.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105173463
Molecular FormulaC13H18ClN3S2
Molecular Weight315.90 g/mol
Exact Mass315.06
IUPAC NameN-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)c1snnc1CCC
InChIInChI=1S/C13H18ClN3S2/c1-3-5-9-13(19-17-16-9)12(15-8-4-2)10-6-7-11(14)18-10/h6-7,12,15H,3-5,8H2,1-2H3
InChIKeySOBDFUDGVLJXOH-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.90
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105161965
N-[(5-chlorothiophen-2-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022772
N-[(5-chlorothiophen-2-yl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 62276494
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
N-[(5-bromo-3-methyltriazol-4-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 106465227
4-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105173433
N-[cycloocten-1-yl-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 106656610
N-[(3-fluoro-5-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105170013
N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
CID 112735876
N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649361
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[(5-bromo-3-methyltriazol-4-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 106464936

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine (CID 105173463) is N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)s1)c1snnc1CCC.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is SOBDFUDGVLJXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S2/c1-3-5-9-13(19-17-16-9)12(15-8-4-2)10-6-7-11(14)18-10/h6-7,12,15H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 315.90 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105173463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).