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

C10H16ClN3OS — CID 80609982

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine
SMILESCN(CCOCC1CC1)Cc1nnc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c1-14(4-5-15-7-8-2-3-8)6-9-12-13-10(11)16-9/h8H,2-7H2,1H3
InChIKeyQDZIVRGXPZJULE-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.05
Rot. Bonds7

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

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine (PubChem CID 80609982) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine
PubChem CID80609982
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine
SMILESCN(CCOCC1CC1)Cc1nnc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c1-14(4-5-15-7-8-2-3-8)6-9-12-13-10(11)16-9/h8H,2-7H2,1H3
InChIKeyQDZIVRGXPZJULE-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine (CID 80609982) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine is CN(CCOCC1CC1)Cc1nnc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine?
The InChIKey is QDZIVRGXPZJULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-14(4-5-15-7-8-2-3-8)6-9-12-13-10(11)16-9/h8H,2-7H2,1H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine has a molecular weight of 261.78 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine is sourced from PubChem (CID 80609982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).