N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine

C12H22N4S — CID 106321975

IUPACN-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C12H22N4S/c1-9(2)10-14-11(17-15-10)16-6-5-12(3,8-16)7-13-4/h9,13H,5-8H2,1-4H3
InChIKeyBZOYXVAAISBALI-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.10
Rot. Bonds4

About N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine (PubChem CID 106321975) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine
PubChem CID106321975
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(c2nc(C(C)C)ns2)C1
InChIInChI=1S/C12H22N4S/c1-9(2)10-14-11(17-15-10)16-6-5-12(3,8-16)7-13-4/h9,13H,5-8H2,1-4H3
InChIKeyBZOYXVAAISBALI-UHFFFAOYSA-N
XLogP2.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine (CID 106321975) is N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(c2nc(C(C)C)ns2)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is BZOYXVAAISBALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(2)10-14-11(17-15-10)16-6-5-12(3,8-16)7-13-4/h9,13H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106321975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).