N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine

C8H15N3S — CID 65204858

IUPACN-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNCc1snnc1C(C)C
InChIInChI=1S/C8H15N3S/c1-4-9-5-7-8(6(2)3)10-11-12-7/h6,9H,4-5H2,1-3H3
InChIKeyMEKDBVZJCRCIGC-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.77
Rot. Bonds4

About N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine

N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 65204858) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
PubChem CID65204858
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNCc1snnc1C(C)C
InChIInChI=1S/C8H15N3S/c1-4-9-5-7-8(6(2)3)10-11-12-7/h6,9H,4-5H2,1-3H3
InChIKeyMEKDBVZJCRCIGC-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine (CID 65204858) is N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine is CCNCc1snnc1C(C)C.
What is the InChIKey of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is MEKDBVZJCRCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-9-5-7-8(6(2)3)10-11-12-7/h6,9H,4-5H2,1-3H3.
What are the key properties of N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 185.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65204858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).