N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine

C14H20N4S2 — CID 80650938

IUPACN-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCc1nsc(Sc2ccc(CNC(C)(C)C)cn2)n1
InChIInChI=1S/C14H20N4S2/c1-5-11-17-13(20-18-11)19-12-7-6-10(8-15-12)9-16-14(2,3)4/h6-8,16H,5,9H2,1-4H3
InChIKeyGQYUCKQPLGBNQN-UHFFFAOYSA-N
MW308.48 g/mol
LogP3.53
Rot. Bonds5

About N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 80650938) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID80650938
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC NameN-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCc1nsc(Sc2ccc(CNC(C)(C)C)cn2)n1
InChIInChI=1S/C14H20N4S2/c1-5-11-17-13(20-18-11)19-12-7-6-10(8-15-12)9-16-14(2,3)4/h6-8,16H,5,9H2,1-4H3
InChIKeyGQYUCKQPLGBNQN-UHFFFAOYSA-N
XLogP3.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 80650938) is N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine is CCc1nsc(Sc2ccc(CNC(C)(C)C)cn2)n1.
What is the InChIKey of N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GQYUCKQPLGBNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-5-11-17-13(20-18-11)19-12-7-6-10(8-15-12)9-16-14(2,3)4/h6-8,16H,5,9H2,1-4H3.
What are the key properties of N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 308.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80650938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).