N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine

C10H18N4S — CID 122141938

IUPACN,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine
SMILESCc1nsc(N2CCC(N(C)C)C2C)n1
InChIInChI=1S/C10H18N4S/c1-7-9(13(3)4)5-6-14(7)10-11-8(2)12-15-10/h7,9H,5-6H2,1-4H3
InChIKeyKPHBZVNQNSLBPE-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.38
Rot. Bonds2

About N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine

N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine (PubChem CID 122141938) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine
PubChem CID122141938
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine
SMILESCc1nsc(N2CCC(N(C)C)C2C)n1
InChIInChI=1S/C10H18N4S/c1-7-9(13(3)4)5-6-14(7)10-11-8(2)12-15-10/h7,9H,5-6H2,1-4H3
InChIKeyKPHBZVNQNSLBPE-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine (CID 122141938) is N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine is Cc1nsc(N2CCC(N(C)C)C2C)n1.
What is the InChIKey of N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine?
The InChIKey is KPHBZVNQNSLBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-9(13(3)4)5-6-14(7)10-11-8(2)12-15-10/h7,9H,5-6H2,1-4H3.
What are the key properties of N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine?
N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine has a molecular weight of 226.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 122141938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).