N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine

C12H22N4S — CID 65271378

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC2CCCN2CC)n1
InChIInChI=1S/C12H22N4S/c1-3-6-11-14-12(17-15-11)13-9-10-7-5-8-16(10)4-2/h10H,3-9H2,1-2H3,(H,13,14,15)
InChIKeyHONODLANEIHRSW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.39
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271378) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65271378
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC2CCCN2CC)n1
InChIInChI=1S/C12H22N4S/c1-3-6-11-14-12(17-15-11)13-9-10-7-5-8-16(10)4-2/h10H,3-9H2,1-2H3,(H,13,14,15)
InChIKeyHONODLANEIHRSW-UHFFFAOYSA-N
XLogP2.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65271378) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCC2CCCN2CC)n1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HONODLANEIHRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-6-11-14-12(17-15-11)13-9-10-7-5-8-16(10)4-2/h10H,3-9H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).