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

C10H16N4S — CID 82473364

IUPACN-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
SMILESC1CCN(c2nnc(CNC3CC3)s2)C1
InChIInChI=1S/C10H16N4S/c1-2-6-14(5-1)10-13-12-9(15-10)7-11-8-3-4-8/h8,11H,1-7H2
InChIKeyOZLRMFGGEKDQEJ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.39
Rot. Bonds4

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

N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine (PubChem CID 82473364) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
PubChem CID82473364
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC NameN-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
SMILESC1CCN(c2nnc(CNC3CC3)s2)C1
InChIInChI=1S/C10H16N4S/c1-2-6-14(5-1)10-13-12-9(15-10)7-11-8-3-4-8/h8,11H,1-7H2
InChIKeyOZLRMFGGEKDQEJ-UHFFFAOYSA-N
XLogP1.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268
N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369520
2-(chloromethyl)-5-piperidin-1-yl-1,3,4-thiadiazole
CID 168893320
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
N-[[5-(2,3,4-trifluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 79756560
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623934
3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82473696
3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82477518
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 55113924
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine (CID 82473364) is N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine is C1CCN(c2nnc(CNC3CC3)s2)C1.
What is the InChIKey of N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is OZLRMFGGEKDQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-2-6-14(5-1)10-13-12-9(15-10)7-11-8-3-4-8/h8,11H,1-7H2.
What are the key properties of N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 224.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 82473364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).