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

C10H15N3OS — CID 80623934

IUPACN-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESC(NC1CC1)c1nnc(OCC2CC2)s1
InChIInChI=1S/C10H15N3OS/c1-2-7(1)6-14-10-13-12-9(15-10)5-11-8-3-4-8/h7-8,11H,1-6H2
InChIKeyUZQCNYJUOBYFMB-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.58
Rot. Bonds6

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

N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 80623934) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID80623934
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESC(NC1CC1)c1nnc(OCC2CC2)s1
InChIInChI=1S/C10H15N3OS/c1-2-7(1)6-14-10-13-12-9(15-10)5-11-8-3-4-8/h7-8,11H,1-6H2
InChIKeyUZQCNYJUOBYFMB-UHFFFAOYSA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.58
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-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623626
N-[[5-(2-propoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80619952
N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80619946
N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620680
N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82831997
N-[[5-(oxan-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620488
N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 102985820
N-[[5-(2-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620035
N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 103045704
N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80624253

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 80623934) is N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is C(NC1CC1)c1nnc(OCC2CC2)s1.
What is the InChIKey of N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is UZQCNYJUOBYFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-7(1)6-14-10-13-12-9(15-10)5-11-8-3-4-8/h7-8,11H,1-6H2.
What are the key properties of N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 225.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80623934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).