N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine

C11H19N3S — CID 105157142

IUPACN-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)C1CC1
InChIInChI=1S/C11H19N3S/c1-3-5-9-11(15-14-13-9)10(12-4-2)8-6-7-8/h8,10,12H,3-7H2,1-2H3
InChIKeyZQXROPINWGGMNH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.55
Rot. Bonds6

About N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine

N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105157142) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105157142
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)C1CC1
InChIInChI=1S/C11H19N3S/c1-3-5-9-11(15-14-13-9)10(12-4-2)8-6-7-8/h8,10,12H,3-7H2,1-2H3
InChIKeyZQXROPINWGGMNH-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-methylcyclohexyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105311794
1-cyclopropyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105157139
N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147324
N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine
CID 105161121
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105151094
1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105079515
2-(oxan-4-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090310
1-(4-propylthiadiazol-5-yl)ethylhydrazine
CID 105282561
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
(3,5-dimethylcyclohexyl)-(4-propylthiadiazol-5-yl)methanol
CID 105102916

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 105157142) is N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1C(NCC)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is ZQXROPINWGGMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-5-9-11(15-14-13-9)10(12-4-2)8-6-7-8/h8,10,12H,3-7H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine?
N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105157142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).