N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

C10H12N4S — CID 82739373

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1cccnc1CNc1nncs1
InChIInChI=1S/C10H12N4S/c1-2-8-4-3-5-11-9(8)6-12-10-14-13-7-15-10/h3-5,7H,2,6H2,1H3,(H,12,14)
InChIKeyCLVNEGCRVXADPP-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.11
Rot. Bonds4

About N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 82739373) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID82739373
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1cccnc1CNc1nncs1
InChIInChI=1S/C10H12N4S/c1-2-8-4-3-5-11-9(8)6-12-10-14-13-7-15-10/h3-5,7H,2,6H2,1H3,(H,12,14)
InChIKeyCLVNEGCRVXADPP-UHFFFAOYSA-N
XLogP2.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (CID 82739373) is N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is CCc1cccnc1CNc1nncs1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CLVNEGCRVXADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-8-4-3-5-11-9(8)6-12-10-14-13-7-15-10/h3-5,7H,2,6H2,1H3,(H,12,14).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82739373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).