N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine

C11H19N3OS — CID 102985820

IUPACN-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
SMILESCCCC(C)Oc1nnc(CNC2CC2)s1
InChIInChI=1S/C11H19N3OS/c1-3-4-8(2)15-11-14-13-10(16-11)7-12-9-5-6-9/h8-9,12H,3-7H2,1-2H3
InChIKeyALQOBDWPVLOSPH-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.36
Rot. Bonds7

About N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine

N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine (PubChem CID 102985820) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
PubChem CID102985820
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
SMILESCCCC(C)Oc1nnc(CNC2CC2)s1
InChIInChI=1S/C11H19N3OS/c1-3-4-8(2)15-11-14-13-10(16-11)7-12-9-5-6-9/h8-9,12H,3-7H2,1-2H3
InChIKeyALQOBDWPVLOSPH-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623297
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 80623515
N-[[5-(2-propoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80619952
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623934
2-methyl-N-[(5-octan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80623930
N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620680
N-[[5-(2-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620035
N-[[5-(2-methylpentoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 103285442
N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
CID 106777587
N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80624253
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82831997

Frequently Asked Questions

What is the IUPAC name of N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine (CID 102985820) is N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine is CCCC(C)Oc1nnc(CNC2CC2)s1.
What is the InChIKey of N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is ALQOBDWPVLOSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-4-8(2)15-11-14-13-10(16-11)7-12-9-5-6-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 241.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 102985820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).