2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole

C15H24N4S — CID 143433469

IUPAC2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole
SMILESCC(C)CC1CCCN1.c1cnccn1.c1cscn1
InChIInChI=1S/C8H17N.C4H4N2.C3H3NS/c1-7(2)6-8-4-3-5-9-8;1-2-6-4-3-5-1;1-2-5-3-4-1/h7-9H,3-6H2,1-2H3;1-4H;1-3H
InChIKeyQXCQFRMWQYFNNT-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.40
Rot. Bonds2

About 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole

2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole (PubChem CID 143433469) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole
PubChem CID143433469
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole
SMILESCC(C)CC1CCCN1.c1cnccn1.c1cscn1
InChIInChI=1S/C8H17N.C4H4N2.C3H3NS/c1-7(2)6-8-4-3-5-9-8;1-2-6-4-3-5-1;1-2-5-3-4-1/h7-9H,3-6H2,1-2H3;1-4H;1-3H
InChIKeyQXCQFRMWQYFNNT-UHFFFAOYSA-N
XLogP3.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
2-(2-thiophen-2-ylpropyl)pyrrolidine
CID 112715427
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
N-methyl-1-pyridin-4-yl-2-pyrrolidin-2-ylethanamine
CID 116951509
2-(1-pyrrolidin-2-ylpropan-2-yl)pyridine
CID 83907313
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
1-methyl-5-(1-pyrrolidin-2-ylpropan-2-yl)pyrazole
CID 112715167

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole (CID 143433469) is 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole is CC(C)CC1CCCN1.c1cnccn1.c1cscn1.
What is the InChIKey of 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole?
The InChIKey is QXCQFRMWQYFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C4H4N2.C3H3NS/c1-7(2)6-8-4-3-5-9-8;1-2-6-4-3-5-1;1-2-5-3-4-1/h7-9H,3-6H2,1-2H3;1-4H;1-3H.
What are the key properties of 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole?
2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole has a molecular weight of 292.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole is sourced from PubChem (CID 143433469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).