N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine

C7H11N3S — CID 65199467

IUPACN-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nnsc1CNC1CC1
InChIInChI=1S/C7H11N3S/c1-5-7(11-10-9-5)4-8-6-2-3-6/h6,8H,2-4H2,1H3
InChIKeyBHUZLBUFSUOVAO-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.10
Rot. Bonds3

About N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine

N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine (PubChem CID 65199467) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine
PubChem CID65199467
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nnsc1CNC1CC1
InChIInChI=1S/C7H11N3S/c1-5-7(11-10-9-5)4-8-6-2-3-6/h6,8H,2-4H2,1H3
InChIKeyBHUZLBUFSUOVAO-UHFFFAOYSA-N
XLogP1.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine (CID 65199467) is N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine is Cc1nnsc1CNC1CC1.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is BHUZLBUFSUOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-5-7(11-10-9-5)4-8-6-2-3-6/h6,8H,2-4H2,1H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine?
N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 169.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65199467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).